************************************************************************
* This file is part of OpenMolcas.                                     *
*                                                                      *
* OpenMolcas is free software; you can redistribute it and/or modify   *
* it under the terms of the GNU Lesser General Public License, v. 2.1. *
* OpenMolcas is distributed in the hope that it will be useful, but it *
* is provided "as is" and without any express or implied warranties.   *
* For more details see the full text of the license in the file        *
* LICENSE or in <http://www.gnu.org/licenses/>.                        *
************************************************************************

#Hamiltonian RCP
#Nucleus UNK
#Contraction RAF
#AllElectron NAE

********************************************************************************
* See the file AIMP.README                                                     *
********************************************************************************

********************************************************************************
* C.1. Cowan-Griffin-relativistic core AIMPs: CG-AIMP
********************************************************************************
*                                                                  recommended
*                                                                  contraction
*       C.1.1. Main Group Elements
*         C.1.1.1. Alkaline Elements
*           /Li.CG-AIMP.Barandiaran.5s1p.1s1p.ECP.1el.                2s1p
*           /Na.CG-AIMP.Barandiaran.7s6p.1s2p.ECP.7el.                2s3p
*           /K.CG-AIMP.Barandiaran.9s7p.1s2p.ECP.7el.                 2s3p
*           /Rb.CG-AIMP.Barandiaran.11s9p6d.1s2p1d.ECP.7el.           2s3p1d
*           /Cs.CG-AIMP.Barandiaran.13s11p8d.1s2p1d.ECP.7el.          3s3p1d
*         C.1.1.2. Alkaline Earth Elements
*           /Be.CG-AIMP.Barandiaran.5s1p.1s1p.ECP.2el.                2s1p
*           /Mg.CG-AIMP.Barandiaran.7s6p1d.1s2p1d.ECP.8el.            2s3p1d
*           /Ca.CG-AIMP.Barandiaran.9s7p5d.1s2p3d.ECP.8el.            2s3p3d
*           /Sr.CG-AIMP.Barandiaran.11s9p6d.1s2p1d.ECP.8el.           3s3p3d
*           /Ba.CG-AIMP.Barandiaran.13s11p8d.1s2p1d.ECP.8el.          3s3p3d
*         C.1.1.3. Group IIIA Elements
*           /B.CG-AIMP.Barandiaran.5s5p1d.1s1p1d.ECP.3el.             2s3p1d
*           /Al.CG-AIMP.Barandiaran.7s6p1d.1s1p1d.ECP.3el.            2s3p1d
*           /Ga.CG-AIMP.Barandiaran.9s8p4d.1s1p2d.ECP.3el.            3s3p2d
*           /In.CG-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.13el.         3s3p3d
*           /Tl.CG-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.13el.     3s4p3d2f
*         C.1.1.4. Group IVA Elements
*           /C.CG-AIMP.Barandiaran.5s5p1d.1s1p1d.ECP.4el.             2s3p1d
*           /Si.CG-AIMP.Barandiaran.7s6p1d.1s1p1d.ECP.4el.            2s3p1d
*           /Ge.CG-AIMP.Barandiaran.9s8p4d.1s1p2d.ECP.4el.            3s3p2d
*           /Sn.CG-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.14el.         3s3p3d
*           /Pb.CG-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.14el.     3s4p3d2f
*         C.1.1.5. Group VA Elements
*           /N.CG-AIMP.Barandiaran.5s5p1d.1s1p1d.ECP.5el.             2s3p1d
*           /P.CG-AIMP.Barandiaran.7s6p1d.1s1p1d.ECP.5el.             2s3p1d
*           /As.CG-AIMP.Barandiaran.9s8p4d.1s1p2d.ECP.5el.            3s3p2d
*           /Sb.CG-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.15el.         3s3p3d
*           /Bi.CG-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.15el.     3s4p3d2f
*         C.1.1.6. Group VIA Elements (Calcogens)
*           /O.CG-AIMP.Barandiaran.5s6p1d.1s2p1d.ECP.6el.             2s4p1d
*           /S.CG-AIMP.Barandiaran.7s6p1d.1s1p1d.ECP.6el.             2s3p1d
*           /Se.CG-AIMP.Barandiaran.9s8p4d.1s1p2d.ECP.6el.            3s3p2d
*           /Te.CG-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.16el.         3s3p3d
*           /Po.CG-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.16el.     3s4p3d2f
*         C.1.1.7. Group VIIA Elements (Halogens)
*           /F.CG-AIMP.Barandiaran.5s6p1d.1s2p1d.ECP.7el.             2s4p1d
*           /Cl.CG-AIMP.Barandiaran.7s7p1d.1s2p1d.ECP.7el.            2s4p1d
*           /Br.CG-AIMP.Barandiaran.9s8p4d.1s1p2d.ECP.7el.            3s4p2d
*           /I.CG-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.17el.          3s4p3d
*           /At.CG-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.17el.     3s4p3d2f
*         C.1.1.8. Group 0 Elements (Noble Gases)
*           /Ne.CG-AIMP.Barandiaran.5s5p1d.1s1p1d.ECP.8el.            2s3p1d
*           /Ar.CG-AIMP.Barandiaran.7s6p1d.1s1p1d.ECP.8el.            2s3p1d
*           /Kr.CG-AIMP.Barandiaran.9s8p4d.1s1p2d.ECP.8el.            3s3p2d
*           /Xe.CG-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.18el.         3s3p3d
*           /Rn.CG-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.18el.     3s4p3d2f
*       C.1.2. Transition Metal Elements
*         C.1.2.1. First Series Transition Metal Elements (core [Mg])
*           /Sc.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.9el.            3s3p4d
*           /Ti.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.10el.           3s3p4d
*           /V.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.11el.            3s3p4d
*           /Cr.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.12el.           3s3p4d
*           /Mn.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.13el.           3s3p4d
*           /Fe.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.14el.           3s3p4d
*           /Co.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.15el.           3s3p4d
*           /Ni.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.16el.           3s3p4d
*           /Cu.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.17el.           3s3p4d
*           /Zn.CG-AIMP.Barandiaran.9s6p5d.1s2p1d.ECP.18el.           3s3p3d
*           /Sc.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.9el.        3s3p4d1f
*           /Ti.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.10el.       3s3p4d1f
*           /V.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.11el.        3s3p4d1f
*           /Cr.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.12el.       3s3p4d1f
*           /Mn.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.13el.       3s3p4d1f
*           /Fe.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.14el.       3s3p4d1f
*           /Co.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.15el.       3s3p4d1f
*           /Ni.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.16el.       3s3p4d1f
*           /Cu.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.17el.       3s3p4d1f
*           /Zn.CG-AIMP.Barandiaran.9s6p5d3f.1s2p1d1f.ECP.18el.       3s3p3d1f
*         C.1.2.2. Second Series Transition Metal Elements (core [Zn])
*           /Y.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.9el.            3s3p4d
*           /Zr.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.10el.          3s3p4d
*           /Nb.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.11el.          3s3p4d
*           /Mo.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.12el.          3s3p4d
*           /Tc.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.13el.          3s3p4d
*           /Ru.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.14el.          3s3p4d
*           /Rh.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.15el.          3s3p4d
*           /Pd.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.16el.          3s3p4d
*           /Ag.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.17el.          3s3p4d
*           /Cd.CG-AIMP.Barandiaran.11s8p6d.1s2p1d.ECP.18el.          3s3p3d
*           /Y.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.9el.        3s3p4d1f
*           /Zr.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.10el.      3s3p4d1f
*           /Nb.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.11el.      3s3p4d1f
*           /Mo.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.12el.      3s3p4d1f
*           /Tc.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.13el.      3s3p4d1f
*           /Ru.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.14el.      3s3p4d1f
*           /Rh.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.15el.      3s3p4d1f
*           /Pd.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.16el.      3s3p4d1f
*           /Ag.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.17el.      3s3p4d1f
*         C.1.2.3. Lanthanum and Third Series Transition Metal Elements
*           /La.CG-AIMP.Casarrubios.13s10p8d.1s2p2d.ECP.9el.          3s3p3d
*           /Hf.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.10el.     3s3p4d2f
*           /Ta.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.11el.     3s3p4d2f
*           /W.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.12el.      3s3p4d2f
*           /Re.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.13el.     3s3p4d2f
*           /Os.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.14el.     3s3p4d2f
*           /Ir.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.15el.     3s3p4d2f
*           /Pt.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.16el.     3s3p4d2f
*           /Pt.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.16el-ave. 3s3p4d2f
*           /Au.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.17el.     3s3p4d2f
*           /Hg.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.18el.     3s3p4d2f
*       C.1.3. f-Elements
*         C.1.3.1.a. Lanthanide Elements (core [Kr,4d])
*           /Ce.CG-AIMP.Diaz-Megias.14s10p9d8f3g.2s1p1d1f1g.ECP.12el. 6s5p5d4f1g
*           /Pr.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.13el.       6s5p5d4f1g
*           /Nd.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.14el.       6s5p5d4f1g
*           /Pm.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.15el.       6s5p5d4f1g
*           /Sm.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.16el.       6s5p5d4f1g
*           /Eu.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.17el.       6s5p5d4f1g
*           /Gd.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.18el.       6s5p5d4f1g
*           /Tb.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.19el.       6s5p5d4f1g
*           /Dy.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.20el.       6s5p5d4f1g
*           /Ho.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.21el.       6s5p5d4f1g
*           /Er.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.22el.       6s5p5d4f1g
*           /Tm.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.23el.       6s5p5d4f1g
*           /Yb.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.24el.       6s5p5d4f1g
*           /Lu.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.25el.       6s5p5d4f1g
*         C.1.3.1.b. Lanthanide Elements (core [Kr])
*           /Ce.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.22el.      6s5p6d4f1g
*           /Pr.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.23el.      6s5p6d4f1g
*           /Nd.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.24el.      6s5p6d4f1g
*           /Pm.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.25el.      6s5p6d4f1g
*           /Sm.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.26el.      6s5p6d4f1g
*           /Eu.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.27el.      6s5p6d4f1g
*           /Gd.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.28el.      6s5p6d4f1g
*           /Tb.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.29el.      6s5p6d4f1g
*           /Dy.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.30el.      6s5p6d4f1g
*           /Ho.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.31el.      6s5p6d4f1g
*           /Er.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.32el.      6s5p6d4f1g
*           /Tm.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.33el.      6s5p6d4f1g
*           /Yb.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.34el.      6s5p6d4f1g
*           /Lu.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.35el.      6s5p6d4f1g
*         C.1.3.1.c. Lanthanide Elements (core [M])
*           /Ce.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.30el.      7s6p6d4f1g
*           /Pr.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.31el.      7s6p6d4f1g
*           /Nd.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.32el.      7s6p6d4f1g
*           /Pm.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.33el.      7s6p6d4f1g
*           /Sm.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.34el.      7s6p6d4f1g
*           /Eu.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.35el.      7s6p6d4f1g
*           /Gd.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.36el.      7s6p6d4f1g
*           /Tb.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.37el.      7s6p6d4f1g
*           /Dy.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.38el.      7s6p6d4f1g
*           /Ho.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.39el.      7s6p6d4f1g
*           /Er.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.40el.      7s6p6d4f1g
*           /Tm.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.41el.      7s6p6d4f1g
*           /Yb.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.42el.      7s6p6d4f1g
*           /Lu.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.43el.      7s6p6d4f1g
*         C.1.3.2.a. Actinide Elements (core [Xe,4f,5d])
*           /Th.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.12el.      6s5p5d4f1g
*           /Pa.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.13el.      6s5p5d4f1g
*           /U.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.14el.       6s5p5d4f1g
*           /Np.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.15el.      6s5p5d4f1g
*           /Pu.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.16el.      6s5p5d4f1g
*           /Am.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.17el.      6s5p5d4f1g
*           /Cm.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.18el.      6s5p5d4f1g
*           /Bk.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.19el.      6s5p5d4f1g
*           /Cf.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.20el.      6s5p5d4f1g
*           /Es.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.21el.      6s5p5d4f1g
*           /Fm.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.22el.      6s5p5d4f1g
*           /Md.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.23el.      6s5p5d4f1g
*           /No.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.24el.      6s5p5d4f1g
*           /Lr.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.25el.      6s5p5d4f1g
*         C.1.3.2.b. Actinide Elements (core [Xe,4f])
*           /Th.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.22el.      6s5p6d4f1g
*           /Pa.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.23el.      6s5p6d4f1g
*           /U.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.24el.       6s5p6d4f1g
*           /Np.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.25el.      6s5p6d4f1g
*           /Pu.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.26el.      6s5p6d4f1g
*           /Am.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.27el.      6s5p6d4f1g
*           /Cm.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.28el.      6s5p6d4f1g
*           /Bk.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.29el.      6s5p6d4f1g
*           /Cf.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.30el.      6s5p6d4f1g
*           /Es.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.31el.      6s5p6d4f1g
*           /Fm.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.32el.      6s5p6d4f1g
*           /Md.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.33el.      6s5p6d4f1g
*           /No.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.34el.      6s5p6d4f1g
*           /Lr.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.35el.      6s5p6d4f1g
********************************************************************************
*
* - Except when indicated otherwise, polarization functions are taken from
*   S. Huzinaga (Editor), J. Andzelm, M. Klobukowski, E. Radzio-Andzelm, Y. Sakai, H. Tatewaki.
*   "Gaussian Basis Sets for Molecular Calculations" (Elsevier, Amsterdam, 1984).
*
********************************************************************************
*    C.1.1. Main Group Elements
********************************************************************************

********************************************************************************
*         C.1.1.1. Alkaline Elements
********************************************************************************

/Li.CG-AIMP.Barandiaran.5s1p.1s1p.ECP.1el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
LITHIUM (5s,1p) -> [1s,1p]
********************************************************************************
*relativistic     core[He] val[2s]     (51/1*)=2s1p recommended
*LIQR-S(5/1)                   (51/1) recomended
********************************************************************************
     1.0   1
* s-type functions
    5    1
         30.37085710
          4.48523425
       8652.54334e-4
       6307.41849e-5
       2434.40834e-5
 -0.013403400500
 -0.075575864900
 -0.190394563000
  0.684382478000
  0.390204196000
* p-type functions
    1    1
          0.07600000
  1.000000000000
********************************************************************************
* Core AIMP: LIQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  8
  1.4840000000e5  1.0640000000e4  1.4430000000e3  2.6220000000e2 58.700000000000 15.820000000000  4.974000000000  1.732000000000
  0.015592682000  0.032292171000  0.073433474000  0.153493540000  0.306600780000  0.555795220000  0.645499070000  0.217293050000
M2
  0
COREREP
 1.0
PROJOP
    0
    6    1
  4.955993800000
        221.00000000
         38.02000000
         10.09000000
          3.23400000
          1.14600000
          0.42890000
  0.007829273100
  0.045303579000
  0.158005420000
  0.353248220000
  0.436176680000
  0.161478360000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
LIQR-1S
End of Spectral Representation Operator

/Na.CG-AIMP.Barandiaran.7s6p.1s2p.ECP.7el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
SODIUM (7s,6p) -> [1s,2p]
********************************************************************************
*relativistic     core[Be] val[2p,3s]     (71/511*)=2s3p recommended
*NAQR-PS(7/51)
********************************************************************************
     7.0   1
* s-type functions
    7    1
        640.95521400
         95.79399140
         21.05670040
          1.71801775
       5093.56676e-4
       5872.45794e-5
       2335.69713e-5
  0.002058068120
  0.013597902300
  0.039341807500
 -0.125480352000
 -0.194733073000
  0.637417525000
  0.461033876000
* p-type functions
    6    2
         76.24460880
         17.42422380
          5.21691534
          1.66731665
       5135.85108e-4
          0.06100000
  0.015296254800  0.000000000000
  0.099086042700  0.000000000000
  0.311441145000  0.000000000000
  0.493636650000  0.000000000000
  0.325102587000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: NAQR-2S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.4080000000e5  2.7250000000e4  5.0020000000e3  1.1851000000e3  3.4420000000e2  1.1506000000e2 41.130000000000  9.040000000000  3.445000000000  1.424000000000
  0.007309110143  0.011252385714  0.022775591429  0.041713367143  0.073802637143  0.105501388571  0.074693505714  0.075286251429  0.124171395714  0.034922938571
M2
  0
COREREP
 1.0
PROJOP
    0
    8    2
 81.094753000000  5.610622000000
       1461.00000000
        268.10000000
         75.49000000
         26.06000000
          9.98000000
          2.75000000
          1.07700000
          0.42300000
  0.020217763000  0.004836321000
  0.100762990000  0.026543056000
  0.291326630000  0.079898111000
  0.453250580000  0.176061270000
  0.268682470000  0.136272240000
  0.022241853000 -0.342088420000
 -0.004158291100 -0.591866250000
  0.001333858500 -0.215717650000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NAQR-2S
End of Spectral Representation Operator

/K.CG-AIMP.Barandiaran.9s7p.1s2p.ECP.7el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
POTASSIUM (9s,7p) -> [1s,2p]
********************************************************************************
*relativistic     core[Mg] val[3p,4s]     (91/611*)=2s3p recommended
*KQR-PS(9/61)
********************************************************************************
     7.0   1
* s-type functions
    9    1
       2013.16171000
        299.73785600
         66.98019730
          6.55335174
          3.42156635
       6874.97039e-4
       2449.21433e-4
       3941.87821e-5
       1698.98702e-5
 -0.001038228080
 -0.006884314010
 -0.020406943300
  0.066040876000
  0.061447358200
 -0.201753280000
 -0.263512742000
  0.672090263000
  0.465706258000
* p-type functions
    7    2
        126.61771200
         28.88193880
          8.34980269
          1.03000741
       4042.76055e-4
       1595.59833e-4
          0.03900000
 -0.017061864400  0.000000000000
 -0.096307631100  0.000000000000
 -0.208618293000  0.000000000000
  0.465866875000  0.000000000000
  0.499025679000  0.000000000000
  0.150293586000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: KQR-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.6800000000e5  3.0890000000e4  5.9660000000e3  1.4556000000e3  4.2550000000e2  1.3817000000e2 41.300000000000 16.072000000000  6.667000000000  1.644900000000  0.732170000000
  0.019215061429  0.028885224286  0.056560330000  0.105893171429  0.169312028571  0.184149571429  0.281210771429  0.483074342857  0.166108885714  0.166266000000  0.053610325714
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  2.6841223000e2 29.213353000000  3.522445300000
       4645.00000000
        829.00000000
        229.50000000
         79.02000000
         30.84000000
          8.62200000
          3.53800000
          1.08500000
          0.51820000
          0.22120000
  0.020273327000  0.005710558700  0.001902326200
  0.101681840000  0.032077171000  0.010542130000
  0.298470800000  0.097593141000  0.032983185000
  0.452495270000  0.217020950000  0.074265408000
  0.261167900000  0.140834470000  0.053137372000
  0.022845896000 -0.508446430000 -0.240793860000
 -0.006621942100 -0.588567240000 -0.451585820000
  0.003139822400 -0.067481045000  0.270327760000
 -0.001902627600  0.015034550000  0.707105120000
  0.000616790990 -0.003633247900  0.251671240000
    8    1
 23.061728000000
        192.40000000
         48.78000000
         16.64000000
          6.42100000
          2.66300000
          1.03000000
          0.40700000
          0.15790000
  0.028338344000
  0.146295140000
  0.370334030000
  0.455394640000
  0.189539310000
  0.011793632000
  0.000277805700
 -0.000104475870
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
KQR-3S
End of Spectral Representation Operator

/Rb.CG-AIMP.Barandiaran.11s9p6d.1s2p1d.ECP.7el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
RUBIDIUM (11s9p6d) -> [1s2p1d]
********************************************************************************
*relativistic     core[Zn] val[4p,5s]     (11,1/811*/6o)=2s3p1d recommended
*
* - (6o) d orthogonality function is the 3d core orbital
*
*RBQR-PS(A1/81/6)
********************************************************************************
     7.0   2
* s-type functions
   11    1
      10154.88180000
       1385.33761000
        294.09564700
         29.34236590
         15.15822680
          5.50695549
          2.82069200
       5173.47145e-4
          0.19781594
       3544.27654e-5
       1553.59851e-5
  0.000470503012
  0.003250536850
  0.010494762400
 -0.041146426500
 -0.022850526500
  0.045875917500
  0.133107047000
 -0.245250021000
 -0.279126583000
  0.686498234000
  0.468779484000
* p-type functions
    9    2
        685.63227800
        157.28302600
         47.96303230
          6.80295850
          3.06376113
          0.83491603
       3608.69529e-4
       1438.74465e-4
          0.03400000
  0.005361643440  0.000000000000
  0.033995362600  0.000000000000
  0.084673550000  0.000000000000
 -0.205755459000  0.000000000000
 -0.195621803000  0.000000000000
  0.368835926000  0.000000000000
  0.564942258000  0.000000000000
  0.218642934000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    1
        159.20000000
         47.79000000
         17.62000000
          6.98700000
          2.80900000
          1.06000000
  0.013946015000
  0.085850180000
  0.268549880000
  0.438837880000
  0.368847790000
  0.104641590000
********************************************************************************
* Core AIMP: RBQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.2590000000e5  4.3730000000e4  9.4310000000e3  2.5240000000e3  7.7710000000e2  2.3490000000e2 86.960000000000 32.900000000000 11.130000000000  5.091000000000  1.437000000000
  0.621100000000
  0.045848824286  0.061797052857  0.116884460000  0.202075500000  0.272620000000  0.382055657143  0.703247528571  0.386323542857  1.119709128571  0.712753585714  0.212841171429
  0.069557831429
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.1249520000e3  1.5510817000e2 25.127923000000  3.132700100000
      21340.00000000
       3532.00000000
        936.30000000
        315.10000000
        123.64000000
         39.43000000
         17.07000000
          5.50700000
          2.53900000
          0.84100000
          0.42800000
          0.18600000
  0.021065861000  0.006845774500  0.002853739900  0.000974208470
  0.102274340000  0.036370709000  0.014589882000  0.004898538400
  0.301930290000  0.113573610000  0.048271231000  0.016525193000
  0.456634930000  0.244861250000  0.103049740000  0.034826576000
  0.256225520000  0.144301770000  0.072841601000  0.025918287000
  0.021424456000 -0.531494920000 -0.364884720000 -0.135226390000
 -0.008033194100 -0.578807400000 -0.516849780000 -0.199844880000
  0.003021691200 -0.070039419000  0.569240170000  0.284561880000
 -0.000442908480  0.017014714000  0.681506410000  0.576381960000
  0.000914426700 -0.007627384700  0.064252181000 -0.233086480000
 -0.000954856800  0.004546873600 -0.013372752000 -0.763322950000
  0.000039891688 -0.001212189100  0.002706345000 -0.276314890000
   10    2
  1.3715698000e2 19.173817000000
        830.80000000
        209.40000000
         72.01000000
         28.56000000
         11.70000000
          5.13900000
          2.28600000
          0.82120000
          0.33590000
          0.13200000
  0.030823158000  0.012991573000
  0.163615720000  0.071633154000
  0.411310090000  0.194352810000
  0.445687080000  0.206671540000
  0.133848830000 -0.197454270000
 -0.000401286860 -0.574797310000
  0.002634989000 -0.350951260000
 -0.000948753600 -0.033342532000
  0.000706663260  0.003722425300
 -0.000099406195 -0.000937229130
    6    1
  9.290771600000
        159.20000000
         47.79000000
         17.62000000
          6.98700000
          2.80900000
          1.06000000
  0.013946015000
  0.085850180000
  0.268549880000
  0.438837880000
  0.368847790000
  0.104641590000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
RBQR-3D
End of Spectral Representation Operator

/Cs.CG-AIMP.Barandiaran.13s11p8d.1s2p1d.ECP.7el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
CAESIUM (13s,11p,8d) -> [1s,2p,1d]
********************************************************************************
*relativistic     core[Cd] val[5p,6s]     (13,1,1/10,11*/8o)=3s3p1d recommended
*
* - (8o) d orthogonality function is the 4d core orbital
*
*CSQR-PS(A3/A01/8)
********************************************************************************
     7.0   2
* s-type functions
   13    1
      33271.63450000
       3972.51924000
        773.74781900
         69.94397510
         37.51714220
         13.53223390
          7.70166529
          3.56355417
          1.55790452
       5031.28814e-4
          0.18600207
       2674.56064e-5
       1199.65641e-5
 -0.000274038147
 -0.001914711580
 -0.006524116450
  0.030320373900
  0.009934508750
 -0.055691120700
 -0.083666511400
  0.096031783500
  0.204409035000
 -0.208369281000
 -0.399938980000
  0.812495004000
  0.342328395000
* p-type functions
   11    2
       1842.95799000
        414.97631400
        126.72033600
         18.14925200
          7.06174323
          4.11735035
          1.68259799
       8163.33325e-4
       3193.66528e-4
       1246.01745e-4
          0.02600000
 -0.002816245230  0.000000000000
 -0.018406046300  0.000000000000
 -0.049138483600  0.000000000000
  0.163273802000  0.000000000000
  0.121630592000  0.000000000000
 -0.306620039000  0.000000000000
 -0.373129394000  0.000000000000
  0.257129375000  0.000000000000
  0.680283968000  0.000000000000
  0.304439365000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    8    1
        318.90000000
         98.00000000
         38.15000000
         16.32000000
          7.31800000
          3.27000000
          1.43700000
          0.57900000
  0.011677473000
  0.065751032000
  0.165085610000
  0.183125590000
 -0.125000410000
 -0.509803050000
 -0.430204990000
 -0.101530000000
********************************************************************************
* Core AIMP: CSQR-4D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.2570000000e5  4.3280000000e4  9.4970000000e3  2.5600000000e3  7.1540000000e2  2.3690000000e2 82.060000000000 29.930000000000  9.054000000000  4.194000000000  1.723000000000
  0.643800000000  0.273400000000
  0.082355364286  0.112017545714  0.207448414286  0.321045042857  0.443537314286  0.853245071429  0.559739214286  1.780744000000  0.277259457143  1.585269714286  0.455462714286
  0.171704742857  0.007314216571
M2
  0
COREREP
 1.0
PROJOP
    2
   15    5
  2.6632041000e3  4.2543468000e2 91.683357000000 18.674223000000  2.619024200000
     118600.00000000
      17060.00000000
       4181.00000000
       1325.00000000
        490.70000000
        194.50000000
         87.45000000
         40.65000000
         15.96000000
          8.18400000
          3.29200000
          1.64700000
          0.31530000
          0.59690000
          0.14200000
  0.012621619000  0.004576402200  0.002051392200  0.000952253650  0.000361200150
  0.056924029000  0.021034047000  0.009653687400  0.004421885800  0.001646662400
  0.181773510000  0.071851583000  0.032600397000  0.015186207000  0.005768522800
  0.382362470000  0.174427350000  0.083021405000  0.038242470000  0.014232295000
  0.409335000000  0.255652440000  0.123950330000  0.059167248000  0.022758166000
  0.128929700000 -0.003818388500 -0.001276553800 -0.003372900800 -0.002344550200
 -0.010340961000 -0.572211930000 -0.474552940000 -0.243090480000 -0.091721669000
 -0.002241837400 -0.498848090000 -0.512312510000 -0.303153560000 -0.123136630000
 -0.000003993615 -0.067140784000  0.590297750000  0.515950270000  0.229041540000
  0.005652005300  0.015560511000  0.708418620000  0.846083320000  0.381581130000
 -0.001821302500 -0.005621987800  0.084815737000 -0.623995550000 -0.380026440000
 -0.001171755300  0.001974088600 -0.012332530000 -0.808692290000 -0.753721230000
  0.000679304950  0.001175125200 -0.002540714000  0.014262029000  0.822725370000
 -0.000262818470 -0.001458640000  0.004765545400 -0.075040308000  0.242293140000
  0.000115653460 -0.000120022060  0.000643242240 -0.002667787000  0.278135670000
   12    3
  3.8153347000e2 77.165124000000 13.823954000000
       2307.00000000
        571.40000000
        195.80000000
         77.88000000
         32.26000000
         14.73000000
          6.94000000
          3.16300000
          1.46300000
          0.54090000
          0.23150000
          0.09420000
  0.026545610000  0.012866802000  0.005892672300
  0.143160280000  0.072016856000  0.032349524000
  0.384533840000  0.208447810000  0.097511233000
  0.464836240000  0.250563360000  0.112228090000
  0.164887380000 -0.191279900000 -0.126314460000
 -0.004398349000 -0.635516960000 -0.469026030000
  0.004380702300 -0.295300080000 -0.051905326000
 -0.001962830000 -0.020386048000  0.673155180000
  0.002045358300 -0.000683111960  0.451813610000
 -0.000740559590  0.000175120150  0.040697238000
  0.000027926822 -0.000321349960 -0.004277866300
 -0.000156973110 -0.000006370323  0.001029175600
    8    2
 55.733731000000  6.508807200000
        318.90000000
         98.00000000
         38.15000000
         16.32000000
          7.31800000
          3.27000000
          1.43700000
          0.57900000
  0.027006570000  0.011677473000
  0.146438600000  0.065751032000
  0.371223660000  0.165085610000
  0.456437020000  0.183125590000
  0.206799840000 -0.125000410000
  0.020393308000 -0.509803050000
  0.000290417260 -0.430204990000
 -0.000249643630 -0.101530000000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CSQR-4D
End of Spectral Representation Operator

********************************************************************************
*         C.1.1.2. Alkaline Earth Elements
********************************************************************************

/Be.CG-AIMP.Barandiaran.5s1p.1s1p.ECP.2el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
BERYLLIUM (5s,1p) -> [1s,1p]
********************************************************************************
*relativistic     core[He] val[2s]     (51/1*)=2s1p recommended
*BEQR-S(5/1)
********************************************************************************
     2.0   1
* s-type functions
    5    1
         65.33347160
          9.75468347
          2.00605822
       1508.88628e-4
       5132.47995e-5
 -0.013105905200
 -0.078786664800
 -0.209306256000
  0.623874541000
  0.462382597000
* p-type functions
    1    1
          0.16400000
  1.000000000000
********************************************************************************
* Core AIMP: BEQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  8
  1.6440000000e5  1.3160000000e4  1.8940000000e3  3.6090000000e2 86.200000000000 24.960000000000  8.410000000000  3.120000000000
  0.009880457000  0.019210281000  0.042901060000  0.087450755000  0.167392045000  0.285949600000  0.299390155000  0.087825645000
M2
  0
COREREP
 1.0
PROJOP
    0
    6    1
  9.467060600000
        264.20000000
         48.83000000
         13.79000000
          4.73600000
          1.82400000
          0.73600000
  0.012720080000
  0.065289875000
  0.200380570000
  0.383441840000
  0.384956040000
  0.110604310000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
BEQR-1S
End of Spectral Representation Operator

/Mg.CG-AIMP.Barandiaran.7s6p1d.1s2p1d.ECP.8el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
MAGNESIUM (7s,6p,1d) -> [1s,2p,1d]
********************************************************************************
*relativistic     core[Be] val[2p,3s]     (71/511*/1*)=2s3p1d recommended
*
* - d polarization function for Mg(++) included
*
*MGQR-PS(7/51/1)
********************************************************************************
     8.0   2
* s-type functions
    7    1
        749.49054300
        112.70758100
         25.03598410
          2.21520780
       7919.21126e-4
          0.10828597
       3934.09899e-5
  0.002822380390
  0.018463723200
  0.052807826000
 -0.156159185000
 -0.231442398000
  0.617695612000
  0.504658672000
* p-type functions
    6    2
         97.67521490
         22.46622510
          6.80024843
          2.22176717
       7133.72041e-4
          0.10100000
  0.014716371300  0.000000000000
  0.096582975600  0.000000000000
  0.309553043000  0.000000000000
  0.499207374000  0.000000000000
  0.312472372000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    1    1
          3.44400000
  1.000000000000
********************************************************************************
* Core AIMP: MGQR-2S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.6490000000e5  3.0630000000e4  5.5970000000e3  1.3036000000e3  3.7170000000e2  1.2337000000e2 44.020000000000 10.125000000000  4.116000000000  1.799000000000
  0.006654068375  0.010180315125  0.020904346250  0.039021251250  0.069510491250  0.094273611250  0.058209160000  0.070724320000  0.104196217500  0.026326217500
M2
  0
COREREP
 1.0
PROJOP
    0
    8    2
 98.260626000000  7.560278400000
       1904.00000000
        345.50000000
         96.13000000
         32.80000000
         12.43200000
          3.42400000
          1.38300000
          0.56160000
  0.018328753000  0.004534055400
  0.093330879000  0.025395320000
  0.279340860000  0.078901697000
  0.454710140000  0.179535480000
  0.285719650000  0.149660240000
  0.025819724000 -0.337746280000
 -0.005407629400 -0.601641570000
  0.001617642800 -0.209552930000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
MGQR-2S
End of Spectral Representation Operator

/Ca.CG-AIMP.Barandiaran.9s7p5d.1s2p3d.ECP.8el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
CALCIUM (9s,7p,5d) -> [1s,2p,3d]
********************************************************************************
*relativistic  core[Mg] val[3p,4s] (91/611*/311)=2s3p3d recommended
*
* - d set from
*   L.G.M. Pettersson, P.E.M. Siegbahn, S. Ismail. Chem. Phys. 82 (1983) 355-368. doi:10.1016/0301-0104(83)85240-9
*
*CAQR-PS(9/61/311)             (81/511/311)
********************************************************************************
     8.0   2
* s-type functions
    9    1
       2307.47283000
        339.77825000
         75.27504150
          7.12790585
          3.32722412
          0.96944504
       4018.27245e-4
       6283.08737e-5
       2518.11018e-5
 -0.001325866600
 -0.008933587540
 -0.026960551500
  0.102469954000
  0.077037190300
 -0.204180745000
 -0.352158018000
  0.702263064000
  0.454948233000
* p-type functions
    7    2
        145.01320100
         33.17408270
          9.66829825
          1.21623607
       4862.04305e-4
       1917.62455e-4
          0.05900000
 -0.017810797900  0.000000000000
 -0.101606111000  0.000000000000
 -0.223228048000  0.000000000000
  0.498411463000  0.000000000000
  0.493766014000  0.000000000000
  0.113613863000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    5    3
          7.45500000
          1.86600000
          0.54500000
          0.16770000
          0.05890000
  0.062760000000  0.000000000000  0.000000000000
  0.241760000000  0.000000000000  0.000000000000
  0.410790000000  0.000000000000  0.000000000000
  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: CAQR-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.4940000000e5  2.9490000000e4  5.8210000000e3  1.4536000000e3  4.3480000000e2  1.4146000000e2 41.980000000000 16.446000000000  6.085000000000  1.809000000000  0.850100000000
  0.018389275000  0.027143121250  0.052656742500  0.096941850000  0.151153750000  0.162594675000  0.275278575000  0.427729500000  0.106232441250  0.147057050000  0.034823017500
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  3.0039369000e2 33.940912000000  4.524072200000
       4675.00000000
        833.00000000
        231.50000000
         80.52000000
         32.04000000
          9.60200000
          3.98800000
          1.25500000
          0.61020000
          0.27120000
  0.022956501000  0.006605525600  0.002311143500
  0.113826570000  0.036273117000  0.012439526000
  0.321025140000  0.108632320000  0.038659981000
  0.450210740000  0.225890360000  0.080889684000
  0.229266800000  0.120955910000  0.049445451000
  0.018168922000 -0.520284780000 -0.264988090000
 -0.004875020500 -0.577981050000 -0.467676160000
  0.002219988500 -0.066900123000  0.307685490000
 -0.001285989100  0.014734763000  0.718231790000
  0.000463608330 -0.003551512300  0.218234480000
    8    1
 27.291047000000
        246.00000000
         62.10000000
         21.16000000
          8.19000000
          3.43000000
          1.31200000
          0.52870000
          0.20570000
  0.023245945000
  0.125845540000
  0.341691520000
  0.461128790000
  0.228384930000
  0.020132687000
 -0.000834760850
  0.000148268950
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CAQR-3S
End of Spectral Representation Operator

/Sr.CG-AIMP.Barandiaran.11s9p6d.1s2p1d.ECP.8el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
STRONTIUM (11s,9p,6d) -> [1s,2p,1d]
********************************************************************************
*relativistic    core[Zn] val[4p,5s]  (11,11/811*/611)=3s3p3d recommended
*
* - d function optimized in  Sr(+) (4d1-2D), from
*   L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 94 (1991) 3762-3773. doi:10.1063/1.459748
*
*SRQR-PSD(A1/81/6)
********************************************************************************
     8.0   2
* s-type functions
   11    1
      10928.35190000
       1484.03484000
        313.80029600
         30.28726000
         13.31066260
          5.37064168
          2.69204373
       7000.78555e-4
       3156.00888e-4
       5368.97246e-5
       2213.36932e-5
  0.000609661435
  0.004203693180
  0.013678844800
 -0.059911742500
 -0.028142695000
  0.099013650100
  0.154750628000
 -0.241873059000
 -0.386752203000
  0.724809989000
  0.451875073000
* p-type functions
    9    2
        725.86496400
        166.58813400
         50.93478560
          7.43901904
          3.51841527
       8869.31348e-4
       3920.87083e-4
       1599.15818e-4
          0.04800000
  0.005868559090  0.000000000000
  0.037142520300  0.000000000000
  0.092173843800  0.000000000000
 -0.213548191000  0.000000000000
 -0.212545982000  0.000000000000
  0.440939801000  0.000000000000
  0.548839351000  0.000000000000
  0.153148997000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    1
         72.22693400
         20.13724080
          6.50674132
       7098.32864e-4
       2209.87611e-4
        692.00405e-4
 -0.010763751800
 -0.050485078600
 -0.086776266900
  0.259639551000
  0.500994036000
  0.472896304000
********************************************************************************
* Core AIMP: SRQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.2549928000e5  4.4971532000e4  9.8659817000e3  2.6503724000e3  8.1459724000e2  2.4452921000e2 89.674409000000 31.454652000000 11.123408000000  4.967020600000  1.420026500000
  0.667360000000
  0.041228280000  0.054407925000  0.102720798750  0.178305012500  0.240777937500  0.344792975000  0.633405687500  0.357066287500  1.063831837500  0.512818787500  0.181798275000
  0.038846201250
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.1920109000e3  1.6640952000e2 27.929122000000  3.898149800000
      20388.12700000
       3353.96020000
        894.79249000
        305.04003000
        121.28595000
         42.51764600
         18.60512900
          6.61182450
          3.14368470
          1.30109030
          0.58921808
          0.25000000
  0.023942579000  0.007924763400  0.003286036900  0.001189750400
  0.115323290000  0.040969336000  0.016808645000  0.005886622500
  0.324427200000  0.126047240000  0.053478813000  0.019442781000
  0.455010130000  0.249721900000  0.108259690000  0.037990799000
  0.223951450000  0.126381700000  0.062763472000  0.024776816000
  0.015219441000 -0.519374790000 -0.350876690000 -0.139531250000
 -0.005698038200 -0.582583040000 -0.544360350000 -0.217623140000
  0.001697229700 -0.081390778000  0.429973880000  0.206219860000
  0.000471029250  0.016479256000  0.766331480000  0.652746650000
  0.000651920680 -0.006568269800  0.120031290000  0.009770927400
 -0.000667626440  0.002721915400 -0.006054601300 -0.879233840000
 -0.000114690850 -0.000799220840  0.001768062800 -0.366745830000
   10    2
  1.4751367000e2 21.625928000000
        852.85326000
        210.43557000
         71.81539500
         28.26563000
         11.67008900
          4.87996890
          2.04604400
          0.85820360
          0.35998401
          0.15100000
  0.033213131000  0.014117549000
  0.176981130000  0.078917574000
  0.433507950000  0.207692340000
  0.431573290000  0.198735800000
  0.109314730000 -0.263074490000
  0.001217947600 -0.628133310000
  0.000889906590 -0.262220840000
 -0.000285965630 -0.004846138900
  0.000401445550 -0.003969321600
 -0.000012827202  0.001234100500
    6    1
 11.186284000000
        156.27844000
         47.29454700
         17.82072700
          7.24770040
          2.99900000
          1.17000000
  0.016664724000
  0.096997686000
  0.281434450000
  0.436127770000
  0.349463530000
  0.093812749000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SRQR-3D
End of Spectral Representation Operator

/Ba.CG-AIMP.Barandiaran.13s11p8d.1s2p1d.ECP.8el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
BARIUM (13s,11p,8d) -> [1s,2p,1d]
********************************************************************************
*relativistic  core[Cd] val[5p,6s]     (13,1,1/10,11*/811)=3s3p3d recommended
*
* - d function optimized in  Ba(+) (5d1-2D), from
*   L.Seijo, Z.Barandiaran, and S.Huzinaga,  J.Chem.Phys. 94(1991)3762.
*
*BAQR-PSD(A3/A01/8)
********************************************************************************
     8.0   2
* s-type functions
   13    1
      35417.37680000
       4192.21930000
        808.91462100
         73.87028010
         38.38448340
         13.87961220
          7.96785216
          3.34245209
          1.58743792
       6533.79093e-4
          0.26277950
       4144.77409e-5
       1772.23962e-5
 -0.000352292831
 -0.002461917360
 -0.008452350770
  0.038200991700
  0.015000538700
 -0.084592809300
 -0.088895870200
  0.142419284000
  0.260592997000
 -0.218397120000
 -0.532738967000
  0.792134489000
  0.397107621000
* p-type functions
   11    2
       1920.11413000
        431.66378200
        131.84252200
         19.51115000
          9.92007250
          3.90836298
          1.97558259
       6148.24094e-4
       2939.80327e-4
       1235.15617e-4
          0.03700000
 -0.003076319350  0.000000000000
 -0.020091015000  0.000000000000
 -0.053467778500  0.000000000000
  0.162963716000  0.000000000000
  0.083880830800  0.000000000000
 -0.281479463000  0.000000000000
 -0.316534971000  0.000000000000
  0.416232548000  0.000000000000
  0.592858830000  0.000000000000
  0.169915680000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    8    1
        248.50954300
         71.77725600
         25.42475980
          4.62315880
          2.27995234
       4233.56486e-4
       1538.81417e-4
       5595.26056e-5
  0.004414226870
  0.024584745000
  0.049767899000
 -0.093324198300
 -0.116871552000
  0.304350789000
  0.524914431000
  0.364135032000
********************************************************************************
* Core AIMP: BAQR-4D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  4.1180000000e5  6.3780000000e4  1.5160000000e4  4.3010000000e3  1.3330000000e3  4.1350000000e2  1.6704000000e2 47.577000000000 26.409000000000  4.942800000000  2.046400000000
  0.690280000000
  0.063081620000  0.076709061250  0.139998337500  0.229108112500  0.299665625000  0.530313375000  0.652893962500  0.809986800000  1.099450887500  1.439377375000  0.507670675000
  0.151744137500
M2
  0
COREREP
 1.0
PROJOP
    2
   15    5
  2.7712681000e3  4.4588786000e2 97.426668000000 20.531505000000  3.208525300000
     137679.91000000
      18460.22500000
       4301.80760000
       1325.40810000
        476.77996000
        170.56742000
         79.45514800
         37.45382900
         15.56271700
          7.91451030
          3.41262910
          1.70761520
          0.69938154
          0.36194010
          0.16800000
  0.011963253000  0.004346785300  0.001955246400  0.000916886180  0.000362661640
  0.057439447000  0.021350374000  0.009832088100  0.004549675800  0.001782593900
  0.189534780000  0.075172707000  0.034265852000  0.016117530000  0.006379470900
  0.399666220000  0.185290320000  0.088574955000  0.041253156000  0.016177047000
  0.414702860000  0.261136730000  0.127891820000  0.061672643000  0.024612510000
  0.108983640000 -0.085772907000 -0.053659264000 -0.030136914000 -0.012759454000
 -0.025327396000 -0.630851840000 -0.558400040000 -0.292935370000 -0.117359940000
  0.004650117900 -0.398437660000 -0.396292790000 -0.247039210000 -0.105712440000
 -0.002582652600 -0.040857792000  0.722577420000  0.664999490000  0.309224050000
  0.007898679600  0.009679346600  0.602922580000  0.752787320000  0.362616820000
 -0.003821093900 -0.003952973500  0.061252611000 -0.720663930000 -0.470605130000
 -0.000149155270  0.001003273800 -0.006201651800 -0.752764390000 -0.779755800000
 -0.000805285970 -0.000998888470  0.002523146100 -0.064821796000  0.265836640000
  0.001053042500  0.000888084100 -0.001109929100  0.005351643700  0.873980810000
  0.000046714738 -0.000040438182  0.000327563710 -0.001102148800  0.255828750000
   12    3
  3.9977723000e2 82.236503000000 15.415171000000
       2151.54450000
        534.81085000
        184.37011000
         73.54107600
         29.72622500
         13.44822800
          5.83832540
          2.84445070
          1.35131800
          0.57041553
          0.25373000
          0.10300000
  0.031562456000  0.015502947000  0.007122294800
  0.164090380000  0.082961670000  0.038062331000
  0.412537010000  0.228284910000  0.107598480000
  0.449449090000  0.228188120000  0.103390360000
  0.130708540000 -0.291528530000 -0.198754180000
 -0.009557693900 -0.656204570000 -0.483356940000
  0.005459128800 -0.208620150000  0.136209480000
 -0.002729955000  0.009876825900  0.707301390000
  0.002528584600 -0.007358240700  0.319493180000
 -0.001193385900  0.002927919300  0.022070301000
  0.000151160460 -0.001533922400 -0.000454591020
 -0.000173517650  0.000319935190 -0.000014513855
    8    2
 60.028554000000  7.718342200000
        519.86816000
        155.03595000
         57.91687000
         23.84764600
         10.45089200
          4.40180800
          1.88420000
          0.75160000
  0.011606550000  0.004976470000
  0.079697799000  0.036802451000
  0.276402970000  0.125053920000
  0.469868430000  0.213999490000
  0.331648530000  0.020966451000
  0.059838110000 -0.459716100000
 -0.001825824900 -0.520050570000
  0.000435668300 -0.148467330000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
BAQR-4D
End of Spectral Representation Operator

********************************************************************************
*         C.1.1.3. Group IIIA Elements
********************************************************************************

/B.CG-AIMP.Barandiaran.5s5p1d.1s1p1d.ECP.3el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
BORON (5s,5p,1d) -> [1s,1p,1d]
********************************************************************************
*relativistic  core[He] val[2s,2p]     (51/511/1*)=2s3p1d recommended
*BQR-SP(5/5/1)
********************************************************************************
     3.0   2
* s-type functions
    5    1
        111.49444600
         16.69452780
          3.52345425
       2746.44305e-4
       9033.31215e-5
 -0.013370838100
 -0.082956770100
 -0.225415303000
  0.628185390000
  0.462856747000
* p-type functions
    5    1
         12.64727830
          2.73988909
       7797.00933e-4
       2470.83048e-4
       7892.85546e-5
  0.012276323100
  0.075749775400
  0.269126636000
  0.504965329000
  0.365414131000
* d-type functions
    1    1
          0.38800000
  1.000000000000
********************************************************************************
* Core AIMP: BQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  7
  1.4413923000e5  1.0515800000e4  1.4368389000e3  2.6575226000e2 62.590380000000 17.987362000000  5.952552400000
  0.009141357333  0.018793089000  0.042974810000  0.090529210000  0.177389583333  0.237125146667  0.090713466667
M2
  0
COREREP
 1.0
PROJOP
    0
    6    1
 15.395428000000
        477.10000000
         87.19000000
         24.22000000
          8.15200000
          3.06700000
          1.19680000
  0.010889908000
  0.057606808000
  0.187195770000
  0.383330510000
  0.403170110000
  0.113553970000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
BQR-1S
End of Spectral Representation Operator

/Al.CG-AIMP.Barandiaran.7s6p1d.1s1p1d.ECP.3el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
ALUMINIUM (7s,6p,1d) -> [1s,1p,1d]
********************************************************************************
*relativistic  core[Ne] val[3s,3p]     (71/611/1*)=2s3p1d recommended
*ALQR-SP(7/6/1)
********************************************************************************
     3.0   2
* s-type functions
    7    1
        888.60370700
        133.25773100
         29.61561960
          2.74099968
          1.09052169
       1687.53939e-4
       6132.27047e-5
  0.003482340740
  0.022906301200
  0.065814547500
 -0.187330220000
 -0.268919395000
  0.666404600000
  0.476224672000
* p-type functions
    6    1
         41.06572930
          9.11237216
          2.40139557
       2226.03751e-4
       8323.85547e-5
       3279.76823e-5
 -0.013384536000
 -0.065710812900
 -0.121540414000
  0.359686810000
  0.532287748000
  0.232912182000
* d-type functions
    1    1
          0.19800000
  1.000000000000
********************************************************************************
* Core AIMP: ALQR-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  2.0591636000e5  1.9449923000e4  3.3266495000e3  7.6857670000e2  2.1293867000e2 64.893283000000 16.953874000000  5.790198600000  2.184734800000
  0.033301475000  0.057671120000  0.114951280000  0.219094720000  0.371334233333  0.417050433333  0.645665266667  1.101695400000  0.372569433333
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
  1.1727777000e2  9.858804400000
       2322.00000000
        419.80000000
        116.43000000
         39.60000000
         14.97000000
          4.20300000
          1.73400000
          0.71570000
  0.017657933000  0.004509604800
  0.090372248000  0.025236531000
  0.273734730000  0.079696655000
  0.454387880000  0.182946270000
  0.293347570000  0.158854240000
  0.027945160000 -0.331863140000
 -0.005894880100 -0.613108040000
  0.001664452700 -0.205128370000
    7    1
  6.435178100000
        175.00000000
         44.97000000
         15.60000000
          6.18600000
          2.59000000
          1.11100000
          0.45150000
  0.007623849700
  0.044639168000
  0.149684350000
  0.308303210000
  0.395962520000
  0.271255650000
  0.052311831000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ALQR-2P
End of Spectral Representation Operator

/Ga.CG-AIMP.Barandiaran.9s8p4d.1s1p2d.ECP.3el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
GALLIUM (9s,8p,4d) -> [1s,1p,2d]
********************************************************************************
*relativistic  core[Ar,3d] val[4s,4p]     (911/811/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*GAQR-SP(9/8/31)
********************************************************************************
     3.0   2
* s-type functions
    9    1
       6581.47359000
        924.36115100
        198.91522900
         18.90924710
          7.23740700
          3.54325421
          1.37505787
       1906.60037e-4
       6856.04918e-5
 -0.001441532790
 -0.009938166080
 -0.031871967100
  0.138582755000
  0.083301748700
 -0.209893339000
 -0.351923409000
  0.675768961000
  0.471874117000
* p-type functions
    8    1
        445.62972300
        102.65496100
         31.06769200
          4.22236372
          1.69838834
       2816.45945e-4
       1058.30281e-4
       3879.05322e-5
  0.002800945110
  0.017378210400
  0.042200923300
 -0.099560126400
 -0.105810863000
  0.264560451000
  0.541465411000
  0.336752081000
* d-type functions
    4    2
         12.52500000
          2.99590000
          0.73735000
          0.20700000
  0.329082367000  0.000000000000
  0.598933980000  0.000000000000
  0.376265166000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: GAQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.4160000000e5  4.9500000000e4  1.1130000000e4  3.0040000000e3  9.2800000000e2  2.9510000000e2 92.100000000000 36.820000000000  8.780000000000  3.500000000000  1.133000000000
  0.081074516667  0.102668253333  0.192295430000  0.343394866667  0.532781166667  0.648785266667  1.273601233333  1.369636233333  1.907521366667  2.368882633333  0.512692400000
M2
  0
COREREP
 1.0
PROJOP
    2
   10    3
  7.6817238000e2 98.651282000000 13.164149000000
      16840.00000000
       2850.00000000
        764.30000000
        256.10000000
         97.20000000
         28.10000000
         12.23000000
          4.41600000
          2.05400000
          0.87100000
  0.016717604000  0.005231033500  0.002022612500
  0.083505576000  0.028645939000  0.010952998000
  0.259712490000  0.092322634000  0.036242396000
  0.449044250000  0.220091200000  0.087968319000
  0.317371910000  0.191441200000  0.083951981000
  0.035773703000 -0.466780640000 -0.277952200000
 -0.012936121000 -0.617049950000 -0.532974840000
  0.005362470100 -0.092050650000  0.260393060000
 -0.002349010800  0.011205644000  0.767081260000
  0.000979770260 -0.002799575300  0.245488910000
    8    2
 85.575552000000  9.052686100000
        689.40000000
        175.00000000
         60.56000000
         24.09000000
         10.34000000
          4.25200000
          1.76200000
          0.69700000
  0.021959934000  0.008320048400
  0.121257390000  0.048865335000
  0.340420490000  0.141853250000
  0.463188210000  0.214010390000
  0.221947730000 -0.026166105000
  0.020800956000 -0.483144400000
  0.000468339070 -0.493906110000
  0.000111902800 -0.124534440000
    6    1
  2.332125700000
         56.38000000
         16.64000000
          6.09000000
          2.33100000
          0.88200000
          0.31210000
  0.035539124000
  0.162792570000
  0.349726350000
  0.414606310000
  0.293593230000
  0.088530299000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
GAQR-3D
End of Spectral Representation Operator

/In.CG-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.13el.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 101 (1994) 4049-4054. doi:10.1063/1.467522
INDIUM (11s,10p,7d) -> [1s,1p,2d]
********************************************************************************
*relativistic  core[Kr] val[4d,5s,5p]     (11,11/10,11/611*)=3s3p3d recommended
*INQR-DSP(A1/A0/61)
********************************************************************************
    13.0   2
* s-type functions
   11    1
      23244.88900000
       2909.43316000
        579.88141300
         53.64105670
         25.96878650
         11.24874630
          6.95532303
          1.82455198
       9419.21748e-4
       1557.16831e-4
       5805.20722e-5
  0.000812717882
  0.005682788230
  0.019480289600
 -0.088916149200
 -0.033142589400
  0.083206241500
  0.252380382000
 -0.290953733000
 -0.389117118000
  0.718382727000
  0.462746192000
* p-type functions
   10    1
       1348.56503000
        306.33893300
         93.98500790
         14.72844410
          8.17278354
          2.41502946
          1.10979905
       2040.22181e-4
       8265.88448e-5
       3242.48836e-5
 -0.001564802990
 -0.010085974400
 -0.025834371200
  0.059332302500
  0.053951877300
 -0.129722003000
 -0.155996721000
  0.300757405000
  0.541988430000
  0.295043526000
* d-type functions
    7    2
        166.58841900
         47.64445480
         16.43132130
          2.49412196
       9718.85384e-4
       3444.30618e-4
          0.16000000
 -0.018911115500  0.000000000000
 -0.100642064000  0.000000000000
 -0.194294050000  0.000000000000
  0.424381464000  0.000000000000
  0.510161834000  0.000000000000
  0.231743281000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: INQR-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.7560000000e5  6.0400000000e4  1.4770000000e4  4.2970000000e3  1.3890000000e3  4.3550000000e2  1.6370000000e2 57.270000000000 21.790000000000  9.778000000000  3.123000000000
  1.465000000000
  0.032219528462  0.037930505385  0.068333183846  0.113930007692  0.154098092308  0.225866569231  0.411422630769  0.239343553846  0.808134692308  0.174863815385  0.411464569231
  0.091623653846
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  2.0676160000e3  3.1625998000e2 62.864333000000 10.621440000000
      74090.00000000
      10960.00000000
       2667.00000000
        828.90000000
        296.30000000
         85.50000000
         38.43000000
         14.48000000
          7.52000000
          3.42600000
          1.57000000
          0.67010000
  0.013567540000  0.004670370100  0.002058038100  0.000894334950
  0.065534622000  0.024223885000  0.010735194000  0.004566575600
  0.218911200000  0.083250240000  0.037233319000  0.016205540000
  0.437914780000  0.213498460000  0.098600710000  0.042307603000
  0.382649640000  0.233651110000  0.114800920000  0.051318080000
  0.058885678000 -0.389357270000 -0.276528080000 -0.133527250000
 -0.027624442000 -0.660467050000 -0.648557250000 -0.325094870000
  0.013790738000 -0.140386530000  0.207778540000  0.123001000000
 -0.007447769800  0.030266804000  0.889190030000  0.913958140000
  0.006091381700 -0.010359201000  0.206873580000  0.049226081000
 -0.003434084100  0.003439880100 -0.001185336700 -0.984228760000
  0.000194302660 -0.001095535000  0.001711847500 -0.351389630000
    9    3
  2.8357531000e2 51.854186000000  7.163484100000
       1383.00000000
        344.90000000
        118.00000000
         46.68000000
         17.56000000
          7.67000000
          2.98800000
          1.32100000
          0.53040000
  0.038077031000  0.018278186000  0.007474989400
  0.195961890000  0.094655267000  0.039355776000
  0.454450460000  0.248840490000  0.104570750000
  0.416870460000  0.168355920000  0.066820899000
  0.085210314000 -0.442549750000 -0.266591450000
 -0.010410794000 -0.601946490000 -0.370761910000
  0.004251563000 -0.107348460000  0.377368480000
 -0.001451351300  0.008442792600  0.653445580000
  0.000727718040 -0.002356264400  0.184388080000
    7    1
 34.739695000000
        133.80000000
         39.89000000
         14.69000000
          5.93400000
          2.21800000
          0.82700000
          0.28670000
  0.077092758000
  0.319643400000
  0.514845300000
  0.293139010000
  0.032332517000
 -0.001417962200
  0.000305175250
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
INQR-4P
End of Spectral Representation Operator

/Tl.CG-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.13el.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 101 (1994) 4049-4054. doi:10.1063/1.467522
THALLIUM (13s,12p,8d,5f) -> [1s,1p,2d,1f]
********************************************************************************
*relativistic core[Xe,4f] val[5d,6s,6p] SO-corr (13,11/12,111/711*/5o1)=3s4p3d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* - (5o) f orthogonality function is the 4f core orbital
*
*TLQR-DSP(A3/A2/71/5)-SO
********************************************************************************
    13.0   3
* s-type functions
   13    1
    1144962.08000000
      87806.77260000
      11821.47400000
       2199.89028000
        186.42977800
         87.72628340
         35.04831720
         26.33838020
          6.56504443
          3.65614526
          1.22297455
       1628.03123e-4
       6043.69397e-5
 -0.000118851789
 -0.000804398458
 -0.004115028820
 -0.012604833600
  0.059750690600
  0.017674271600
 -0.163283910000
 -0.046742272800
  0.490380435000
 -0.107318849000
 -0.707888906000
  0.785686366000
  0.399023479000
* p-type functions
   12    1
       5228.56683000
       1117.04288000
        330.96413700
         49.16731550
         20.92922770
         14.30384230
          7.32130824
          1.89380634
       9174.34607e-4
       2080.89743e-4
        821.36633e-4
       3120.81612e-5
  0.000648105463
  0.005770771490
  0.016037268500
 -0.052108058000
 -0.033562029300
  0.063321180400
  0.108153525000
 -0.169540049000
 -0.150705238000
  0.270229133000
  0.549290205000
  0.330372511000
* d-type functions
    8    2
        685.88072000
        198.23699000
         71.91678560
         15.67158210
          9.14474213
          1.47819336
       4616.19567e-4
          0.14600000
  0.006903196360  0.000000000000
  0.041583484200  0.000000000000
  0.092304786800  0.000000000000
 -0.101348386000  0.000000000000
 -0.219461792000  0.000000000000
  0.607830947000  0.000000000000
  0.523404512000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         94.24000000
         31.04000000
         12.05000000
          4.79900000
          1.77200000
  0.071224319000
  0.282306710000
  0.471427870000
  0.382777210000
  0.117101190000
********************************************************************************
* Core AIMP: TLQR-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  3.8594000000e6  5.0398000000e5  1.0648700000e5  2.7862000000e4  8.4641000000e3  2.7592000000e3  9.3578000000e2  3.9509000000e2  1.2100300000e2 70.936000000000 15.829000000000
  7.400600000000  2.777900000000  1.299000000000
  0.023274230769  0.031877792308  0.059633770769  0.103707046154  0.157232207692  0.206489707692  0.371377953846  0.420555215385  0.615908107692  0.703826576923  1.386965076923
  0.557556192308  0.501747600000  0.090617753846
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  6.3472908000e3  1.1419602000e3  2.7768116000e2 64.778166000000 11.262970000000
    1074700.00000000
     123200.00000000
      25090.00000000
       6863.00000000
       2265.00000000
        851.60000000
        288.50000000
        127.60000000
         47.85000000
         25.69000000
         10.54000000
          5.59800000
          2.22400000
          1.18500000
          0.54250000
  0.009553632100  0.003882279800  0.001862526500  0.000938924610  0.000416307570
  0.034783533000  0.014249577000  0.006924361200  0.003471401300  0.001535465700
  0.105370470000  0.045991010000  0.022270567000  0.011273847000  0.005004918400
  0.259245990000  0.117699860000  0.058383196000  0.029372464000  0.013000843000
  0.422292240000  0.232413150000  0.117037040000  0.059995803000  0.026726625000
  0.328230840000  0.170110330000  0.088780891000  0.044508889000  0.019641339000
  0.044126305000 -0.420263110000 -0.355413610000 -0.202064500000 -0.092090779000
 -0.032855309000 -0.645203450000 -0.669362510000 -0.423102340000 -0.199095830000
  0.011552384000 -0.129003070000  0.427003660000  0.465358100000  0.249729540000
  0.007050150300  0.041461879000  0.824841710000  1.009161800000  0.561772520000
  0.001362716200 -0.015645824000  0.129898780000 -0.569170870000 -0.477447080000
 -0.008336465800  0.005044108300 -0.025007276000 -0.885446630000 -1.000878600000
  0.001811373100 -0.003880065600  0.008386778500 -0.091723752000  0.461884340000
  0.000934472360  0.003353710200 -0.003526190900  0.014342761000  0.854039310000
  0.000503095350 -0.000321088630  0.001019992400 -0.002414580800  0.178973180000
   12    4
  9.8602654000e2  2.3192976000e2 49.474311000000  6.895190200000
       7743.00000000
       1829.00000000
        613.50000000
        243.80000000
        107.02000000
         48.94000000
         23.88000000
         10.88500000
          5.28000000
          2.18800000
          0.99670000
          0.40730000
  0.019982933000  0.010526717000  0.005356548300  0.002187848700
  0.106401890000  0.058553117000  0.029400188000  0.012239408000
  0.314688200000  0.180927160000  0.093904699000  0.038626426000
  0.467643730000  0.285041710000  0.145569530000  0.061265354000
  0.255373260000 -0.024881961000 -0.041493116000 -0.022597411000
  0.021429534000 -0.590560270000 -0.497429140000 -0.225274260000
 -0.003810397600 -0.429373240000 -0.226719290000 -0.094574719000
  0.001936020200 -0.056526195000  0.640267310000  0.441043710000
  0.002973372300  0.004645139300  0.536388830000  0.340584580000
 -0.000790608160 -0.001639557100  0.059610838000 -0.541272420000
 -0.000854597700 -0.000183104750 -0.004707725600 -0.595022190000
 -0.000206733150 -0.000271708240  0.000939625770 -0.119345970000
   10    2
  1.8255545000e2 30.827803000000
        638.80000000
        194.80000000
         75.86000000
         33.02000000
         14.20400000
          6.34100000
          2.70300000
          1.17720000
          0.48300000
          0.18330000
  0.044034627000  0.023791698000
  0.222177180000  0.120020690000
  0.468566890000  0.257251580000
  0.391446870000  0.080976949000
  0.087812967000 -0.464697810000
 -0.002613667700 -0.533099050000
  0.001879114600 -0.133976170000
 -0.000569963450  0.000846096550
  0.000630230480 -0.001911616500
 -0.000041753855  0.000626294690
    5    1
 10.206305000000
         94.24000000
         31.04000000
         12.05000000
          4.79900000
          1.77200000
  0.071224319000
  0.282306710000
  0.471427870000
  0.382777210000
  0.117101190000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TLQR-4F
End of Spectral Representation Operator

********************************************************************************
*         C.1.1.4. Group IVA Elements
********************************************************************************

/C.CG-AIMP.Barandiaran.5s5p1d.1s1p1d.ECP.4el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
CARBON (5s,5p,1d) -> [1s,1p,1d]
********************************************************************************
*relativistic   core[He] val[2s,2p]     (51/511/1*)=2s3p1d recommended
*CQR-SP(5/5/1)
********************************************************************************
     4.0   2
* s-type functions
    5    1
        168.96490200
         25.34283620
          5.43152890
       4296.70047e-4
       1381.94898e-4
 -0.013485953900
 -0.085133513900
 -0.233829600000
  0.628321954000
  0.465319579000
* p-type functions
    5    1
         19.09624880
          4.21547915
          1.22238251
       3891.13508e-4
       1223.83076e-4
  0.013661995600
  0.085034378100
  0.286542592000
  0.501518674000
  0.348448489000
* d-type functions
    1    1
          0.60000000
  1.000000000000
********************************************************************************
* Core AIMP: CQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  7
  1.6153366000e5  1.3121775000e4  1.9127801000e3  3.6841865000e2 88.948770000000 25.979553000000  8.688237000000
  0.007649341500  0.014727541500  0.032968900000  0.068696430000  0.133643560000  0.176419957500  0.065894267500
M2
  0
COREREP
 1.0
PROJOP
    0
    6    1
 22.661651000000
        674.80000000
        123.24000000
         34.26000000
         11.55900000
          4.35700000
          1.68100000
  0.011290567000
  0.059636137000
  0.193411870000
  0.392405120000
  0.396898340000
  0.101303270000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CQR-1S
End of Spectral Representation Operator

/Si.CG-AIMP.Barandiaran.7s6p1d.1s1p1d.ECP.4el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
SILICON (7s,6p,1d) -> [1s,1p,1d]
********************************************************************************
*relativistic   core[Ne] val[3s,3p]     (71/611/1*)=2s3p1d recommended
*SIQR-SP(7/6/1)
********************************************************************************
     4.0   2
* s-type functions
    7    1
       1055.88913000
        157.35020800
         34.86559140
          3.25220266
          1.38760138
       2368.80009e-4
       8612.61651e-5
  0.003898070880
  0.025925664400
  0.075431476400
 -0.218190728000
 -0.284020803000
  0.683130784000
  0.474355167000
* p-type functions
    6    1
         52.21744150
         11.68643360
          3.16486958
       3203.55598e-4
       1221.63913e-4
       4839.31492e-5
 -0.014789157700
 -0.075245251000
 -0.144739717000
  0.396632008000
  0.521879992000
  0.202932775000
* d-type functions
    1    1
          0.26200000
  1.000000000000
********************************************************************************
* Core AIMP: SIQR-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  2.2186105000e5  2.1997704000e4  3.8739011000e3  9.0993350000e2  2.5507869000e2 78.769081000000 20.991645000000  7.251562600000  2.806394000000
  0.025994322500  0.043578495000  0.086139492500  0.163100180000  0.276268250000  0.315025600000  0.474467025000  0.830475750000  0.284950875000
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
  1.3800092000e2 12.367349000000
       2429.00000000
        441.30000000
        123.60000000
         42.63000000
         16.44000000
          4.67300000
          1.92700000
          0.80500000
  0.020149137000  0.005265531600
  0.100814330000  0.029069187000
  0.293554490000  0.088473239000
  0.453660460000  0.195308410000
  0.265313980000  0.142808080000
  0.022842326000 -0.392322340000
 -0.004813648300 -0.605240690000
  0.001311048900 -0.152703920000
    7    1
  8.511971600000
        225.00000000
         57.72000000
         20.00000000
          7.93700000
          3.33800000
          1.44500000
          0.59390000
  0.006798700400
  0.040822083000
  0.141435620000
  0.303132380000
  0.401870790000
  0.276241460000
  0.052003176000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SIQR-2P
End of Spectral Representation Operator

/Ge.CG-AIMP.Barandiaran.9s8p4d.1s1p2d.ECP.4el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
GERMANIUM (9s,8p,4d) -> [1s,1p,2d]
********************************************************************************
*relativistic   core[Ar,3d] val[4s,4p]     (911/811/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*GEQR-SP(9/8/31)               (711/611/31)
********************************************************************************
     4.0   2
* s-type functions
    9    1
       7127.44643000
        995.61781400
        213.61754200
         20.31471090
          7.68904809
          3.94024359
          1.56733437
       2381.51175e-4
       8734.77245e-5
 -0.001603053140
 -0.011071868200
 -0.035620295800
  0.155583606000
  0.097228869400
 -0.229448849000
 -0.399504061000
  0.707240034000
  0.458202986000
* p-type functions
    8    1
        478.78185000
        110.23443400
         33.47515780
          4.63553192
          1.90846884
       3540.21681e-4
       1411.40685e-4
       5374.20022e-5
  0.003444221720
  0.021393524400
  0.051819317600
 -0.121110294000
 -0.130449561000
  0.301964451000
  0.545878461000
  0.290615066000
* d-type functions
    4    2
         14.69800000
          3.60000000
          0.92616000
          0.24600000
  0.314046530000  0.000000000000
  0.599767940000  0.000000000000
  0.377137580000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: GEQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.3370000000e5  5.0310000000e4  1.1720000000e4  3.2550000000e3  1.0248000000e3  3.3430000000e2  1.0500000000e2 41.970000000000 10.260000000000  4.168000000000  1.443000000000
  0.063534450000  0.077831837500  0.142870917500  0.252984325000  0.391596850000  0.476029525000  0.914588550000  1.075290675000  1.323424750000  1.871207650000  0.410640450000
M2
  0
COREREP
 1.0
PROJOP
    2
   10    3
  8.2251367000e2  1.0695815000e2 14.814463000000
      18550.00000000
       3120.00000000
        833.30000000
        278.20000000
        105.20000000
         30.51000000
         13.35000000
          4.93900000
          2.30100000
          0.98300000
  0.016386855000  0.005163940400  0.002012619300
  0.081822122000  0.028169405000  0.010906971000
  0.255927130000  0.091402586000  0.036174550000
  0.448310480000  0.219073120000  0.088661934000
  0.322919060000  0.196170670000  0.086465863000
  0.037546063000 -0.456146330000 -0.273664240000
 -0.013830694000 -0.621898300000 -0.542951290000
  0.005729618100 -0.098076420000  0.230504900000
 -0.002451776000  0.010539366000  0.785330350000
  0.001048664900 -0.002636182300  0.256059880000
    8    2
 93.153484000000 10.422919000000
        768.70000000
        194.90000000
         67.43000000
         26.85000000
         11.56000000
          4.76200000
          1.99400000
          0.80200000
  0.020700823000  0.007957590700
  0.115495520000  0.047222411000
  0.330635800000  0.139661430000
  0.463452610000  0.217473880000
  0.234712800000 -0.010916368000
  0.024342498000 -0.475549860000
  0.000195697080 -0.503966850000
  0.000155522370 -0.127598010000
    6    1
  3.199805800000
         66.26000000
         19.71000000
          7.29000000
          2.84100000
          1.10300000
          0.40000000
  0.032013603000
  0.151747490000
  0.340990590000
  0.419796370000
  0.298489760000
  0.084600467000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
GEQR-3D
End of Spectral Representation Operator

/Sn.CG-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.14el.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 101 (1994) 4049-4054. doi:10.1063/1.467522
TIN (11s,10p,7d) -> [1s,1p,2d]
********************************************************************************
*relativistic   core[Kr] val[4d,5s,5p]     (11,11/10,11/611*)=3s3p3d recommended
*SNQR-DSP(A1/A0/61)
********************************************************************************
    14.0   2
* s-type functions
   11    1
      24819.37460000
       3081.57476000
        610.73147600
         55.48786640
         19.47262160
         13.22570590
          6.61166353
          2.26049455
          1.09863424
       1880.20182e-4
       7186.67082e-5
  0.000889804304
  0.006226291830
  0.021425863700
 -0.102924873000
 -0.092132481800
  0.186455594000
  0.267777776000
 -0.265722096000
 -0.504609006000
  0.751811788000
  0.450515900000
* p-type functions
   10    1
       1430.98701000
        324.56088100
         99.52980530
         14.57414790
          6.69291654
          2.94823822
          1.28785132
       2434.43742e-4
       1044.29512e-4
       4286.26174e-5
 -0.001851118230
 -0.011972703800
 -0.031043291900
  0.090843814400
  0.061486951800
 -0.147162802000
 -0.209707401000
  0.353041704000
  0.537332343000
  0.244212354000
* d-type functions
    7    2
        176.98071800
         50.66662760
         17.52906440
          2.70754374
          1.07920861
       3958.11524e-4
          0.18300000
 -0.019474093000  0.000000000000
 -0.104439925000  0.000000000000
 -0.203049133000  0.000000000000
  0.435031127000  0.000000000000
  0.508620900000  0.000000000000
  0.210217283000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: SNQR-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8580000000e5  6.1300000000e4  1.4830000000e4  4.2830000000e3  1.3820000000e3  4.3560000000e2  1.6600000000e2 54.810000000000 21.930000000000  7.996000000000  3.166000000000
  1.514000000000
  0.030366893571  0.036152716429  0.065509554286  0.108729164286  0.144414885714  0.215735550000  0.383800892857  0.239476307143  0.770234357143  0.136592907143  0.375652092857
  0.064763286429
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  2.1608958000e3  3.3305526000e2 67.180829000000 11.772593000000
      78490.00000000
      11560.00000000
       2817.00000000
        876.90000000
        313.30000000
         91.00000000
         41.13000000
         15.88000000
          8.26000000
          3.84600000
          1.73000000
          0.74610000
  0.013685754000  0.004743664800  0.002096660700  0.000923462430
  0.065406693000  0.024242883000  0.010812817000  0.004658280800
  0.216666830000  0.082849477000  0.037169914000  0.016401578000
  0.434913840000  0.211595480000  0.098315249000  0.042718317000
  0.386319640000  0.236467710000  0.116262760000  0.052705224000
  0.062033486000 -0.372539460000 -0.264167620000 -0.129693420000
 -0.029363389000 -0.665581340000 -0.655216770000 -0.332076440000
  0.014608198000 -0.150929260000  0.151823980000  0.084263610000
 -0.007995483200  0.029268040000  0.902932760000  0.927570190000
  0.006604171500 -0.009840262500  0.238021030000  0.114961380000
 -0.003548534400  0.003051299600  0.002180072400 -1.000136700000
  0.000169275420 -0.001059043100  0.001391834000 -0.369763290000
    9    3
  2.9872050000e2 55.641254000000  8.104010700000
       1484.00000000
        370.00000000
        126.60000000
         50.05000000
         18.96000000
          8.32000000
          3.29300000
          1.47200000
          0.60050000
  0.036742698000  0.017707682000  0.007385776200
  0.189969570000  0.092386559000  0.039045491000
  0.448290670000  0.245902250000  0.105371700000
  0.424320310000  0.179330780000  0.072822794000
  0.091357641000 -0.423458170000 -0.260108660000
 -0.010822229000 -0.613153900000 -0.390051560000
  0.004493482800 -0.117420390000  0.353509860000
 -0.001537241000  0.008450469100  0.669615490000
  0.000785080500 -0.002404103300  0.191606920000
    7    1
 37.845942000000
        146.40000000
         43.79000000
         16.24000000
          6.62500000
          2.52100000
          0.96600000
          0.34450000
  0.072185761000
  0.306290700000
  0.509698900000
  0.308831760000
  0.038708150000
 -0.001808283600
  0.000415978590
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SNQR-4P
End of Spectral Representation Operator

/Pb.CG-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.14el.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 101 (1994) 4049-4054. doi:10.1063/1.467522
LEAD (13s,12p,8d,5f) -> [1s,1p,2d,1f]
********************************************************************************
*relativistic core[Xe,4f] val[5d,6s,6p] SO-corr (13,11/12,111/711*/5o1)=3s4p3d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* - (5o) f orthogonality function is the 4f core orbital
*
*PBQR-DSP(A3/A2/71/5)-SO
********************************************************************************
    14.0   3
* s-type functions
   13    1
    1190487.92000000
      90764.47840000
      12141.14420000
       2270.74375000
        194.20083400
        108.97930200
         33.30655360
          9.32128641
          6.12136497
          2.66713801
          1.22187016
       1963.58864e-4
       7448.17059e-5
 -0.000130103224
 -0.000876143229
 -0.004464850080
 -0.013367436700
  0.061705505800
  0.015886673900
 -0.225076493000
  0.117672501000
  0.421248155000
 -0.204902449000
 -0.695937681000
  0.806645968000
  0.411312707000
* p-type functions
   12    1
       5438.75752000
       1158.84532000
        342.24496300
         51.06900310
         23.47187360
         15.10673300
          7.76578656
          1.95837172
       9464.94475e-4
       2549.10738e-4
       1070.74112e-4
       4239.67058e-5
  0.000695681077
  0.006949959210
  0.019416655600
 -0.061501091900
 -0.035848608700
  0.065139302400
  0.135563342000
 -0.217756586000
 -0.174477233000
  0.302635606000
  0.565089335000
  0.286723486000
* d-type functions
    8    2
        709.22197800
        204.82815700
         74.35308080
         16.09248210
          9.44225267
          1.59481334
       5189.16684e-4
          0.16400000
  0.007205322740  0.000000000000
  0.043661238300  0.000000000000
  0.097117281300  0.000000000000
 -0.111055770000  0.000000000000
 -0.226573252000  0.000000000000
  0.617786043000  0.000000000000
  0.506860109000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         96.84000000
         31.98000000
         12.49000000
          5.03400000
          1.89300000
  0.072956163000
  0.286642340000
  0.471946770000
  0.376208320000
  0.111938650000
********************************************************************************
* Core AIMP: PBQR-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  3.7333000000e6  4.6798000000e5  9.6777000000e4  2.4822000000e4  7.3681000000e3  2.3352000000e3  8.0408000000e2  3.3499000000e2  1.0351300000e2 58.406000000000 15.959000000000
  7.046600000000  2.811900000000  1.347270000000
  0.022625628929  0.031821073000  0.060067529786  0.105383712857  0.157590034286  0.209659198571  0.397054560000  0.346150066429  0.882938300000  0.308794270000  1.348596578571
  0.469183102143  0.448407817143  0.068870985643
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  6.5319909000e3  1.1803345000e3  2.8853221000e2 68.176617000000 12.311761000000
     807100.00000000
      93900.00000000
      19580.00000000
       5480.00000000
       1858.00000000
        728.80000000
        270.30000000
        121.60000000
         47.74000000
         25.26000000
         10.55000000
          5.60100000
          2.33900000
          1.22800000
          0.57250000
  0.012449404000  0.005088766200  0.002444757200  0.001237027800  0.000554957860
  0.044975793000  0.018675418000  0.009106047700  0.004577966700  0.002052465500
  0.132789690000  0.058705682000  0.028491167000  0.014488152000  0.006506173200
  0.305699930000  0.143162070000  0.071586500000  0.036120057000  0.016212525000
  0.429897330000  0.247518430000  0.125342710000  0.064818046000  0.029215326000
  0.254701450000  0.101917540000  0.051264013000  0.024301138000  0.010784853000
  0.016605951000 -0.496152970000 -0.430579760000 -0.246435610000 -0.114205050000
 -0.024347713000 -0.582419800000 -0.611315120000 -0.395124390000 -0.188782240000
  0.008870511500 -0.096502762000  0.535273580000  0.582116110000  0.315132220000
  0.010335810000  0.029781076000  0.759132070000  0.936866140000  0.533921470000
 -0.001971721400 -0.011502231000  0.108576550000 -0.672342460000 -0.578760450000
 -0.006549140000  0.002402437000 -0.021622139000 -0.814708000000 -0.965295830000
  0.001197433500 -0.002440686200  0.007487992400 -0.077495716000  0.527885200000
  0.001454331000  0.002573201900 -0.002852569700  0.009065400700  0.842763140000
  0.000374987160 -0.000155894030  0.000895097850 -0.001561219800  0.160494730000
   12    4
  1.0166472000e3  2.4070211000e2 52.182727000000  7.687656700000
       8926.00000000
       2096.00000000
        700.30000000
        277.60000000
        122.28000000
         54.59000000
         26.47000000
         11.85900000
          5.74600000
          2.39000000
          1.10690000
          0.46120000
  0.017186320000  0.009032827800  0.004617518700  0.001923218400
  0.092633260000  0.051081271000  0.025723389000  0.010883689000
  0.285767770000  0.162996700000  0.084792119000  0.035552602000
  0.459875120000  0.283639720000  0.146006720000  0.062349134000
  0.294018310000  0.037403867000 -0.001103081000 -0.004383351900
  0.038930820000 -0.553520480000 -0.466143450000 -0.215934710000
 -0.007262915600 -0.483194230000 -0.301557620000 -0.133457750000
  0.003025631400 -0.074305574000  0.600806070000  0.421173520000
  0.002636579100  0.006747100600  0.579935800000  0.391049500000
 -0.000412900670 -0.002399001200  0.071368951000 -0.512673200000
 -0.001100353400  0.000113881750 -0.005744484700 -0.620722430000
 -0.000189915830 -0.000386565520  0.001138502200 -0.128672580000
   10    2
  1.8978622000e2 32.911892000000
        685.40000000
        209.10000000
         81.57000000
         35.56000000
         15.40400000
          6.94300000
          3.03300000
          1.34140000
          0.56250000
          0.21690000
  0.040876730000  0.022187535000
  0.209935620000  0.114232600000
  0.457758650000  0.253366300000
  0.405198670000  0.104036780000
  0.099615629000 -0.436540550000
 -0.002346488400 -0.547023150000
  0.002118125600 -0.153580170000
 -0.000684296250 -0.001646717200
  0.000719628790 -0.001704137000
 -0.000056033351  0.000580900020
    5    1
 11.670809000000
         96.84000000
         31.98000000
         12.49000000
          5.03400000
          1.89300000
  0.072956163000
  0.286642340000
  0.471946770000
  0.376208320000
  0.111938650000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PBQR-4F
End of Spectral Representation Operator

********************************************************************************
*         C.1.1.5. Group VA Elements
********************************************************************************

/N.CG-AIMP.Barandiaran.5s5p1d.1s1p1d.ECP.5el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
NITROGEN (5s,5p,1d) -> [1s,1p,1d]
********************************************************************************
*relativistic   core[He] val[2s,2p]     (51/511/1*)=2s3p1d recommended
*NQR-SP(5/5/1)
********************************************************************************
     5.0   2
* s-type functions
    5    1
        237.70007500
         35.69905330
          7.72937583
          0.61687838
       1952.48565e-4
 -0.013568178000
 -0.086535618300
 -0.239116506000
  0.627518621000
  0.467846938000
* p-type functions
    5    1
         26.87068510
          5.99902857
          1.75675427
       5594.42094e-4
       1736.57259e-4
  0.014529999900
  0.091016339300
  0.297077744000
  0.498677809000
  0.339147281000
* d-type functions
    1    1
          0.86400000
  1.000000000000
********************************************************************************
* Core AIMP: NQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  7
  1.8507495000e5  1.6100235000e4  2.4455926000e3  4.8322037000e2  1.1860814000e2 35.125771000000 11.863363000000
  0.006607106400  0.012190095000  0.026943620000  0.055816810000  0.107792496000  0.139837698000  0.050812172000
M2
  0
COREREP
 1.0
PROJOP
    0
    6    1
 31.278751000000
        897.20000000
        163.62000000
         45.46000000
         15.35900000
          5.79900000
          2.21290000
  0.011755044000
  0.062030975000
  0.200582340000
  0.401243870000
  0.388674750000
  0.090238060000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NQR-1S
End of Spectral Representation Operator

/P.CG-AIMP.Barandiaran.7s6p1d.1s1p1d.ECP.5el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
PHOSPHORUS (7s,6p,1d) -> [1s,1p,1d]
********************************************************************************
*relativistic   core[Ne] val[3s,3p]     (71/611/1*)=2s3p1d recommended
*PQR-SP(7/6/1)                 (61/411/1)
********************************************************************************
     5.0   2
* s-type functions
    7    1
       1229.84109000
        182.99318800
         40.54141630
          3.78042344
          1.68957532
       3128.01414e-4
       1137.57345e-4
  0.004226922280
  0.028211820900
  0.082830779200
 -0.249704896000
 -0.286205410000
  0.692425463000
  0.476817647000
* p-type functions
    6    1
         64.06998190
         14.44628490
          3.99626162
       4326.41931e-4
       1679.40244e-4
        667.95278e-4
 -0.015701217500
 -0.081750512200
 -0.161342609000
  0.414402674000
  0.512632042000
  0.192555007000
* d-type functions
    1    1
          0.34000000
  1.000000000000
********************************************************************************
* Core AIMP: PQR-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  2.3156401000e5  2.3684732000e4  4.2390454000e3  1.0095593000e3  2.8745995000e2 89.742310000000 24.347208000000  8.603350800000  3.423531300000
  0.021919618000  0.036010506000  0.071052652000  0.132817240000  0.222810940000  0.252385760000  0.385275940000  0.660335980000  0.217391360000
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
  1.6044123000e2 15.098322000000
       2919.00010000
        527.30000000
        146.70000000
         50.43000000
         19.44000000
          5.63300000
          2.36700000
          0.98900000
  0.019247353000  0.005154766300
  0.097289178000  0.028515341000
  0.287736940000  0.088673638000
  0.452804950000  0.196391170000
  0.274235680000  0.152825290000
  0.025383437000 -0.376677740000
 -0.005403995900 -0.616600520000
  0.001368839800 -0.159584910000
    7    1
 10.803896000000
        224.00000000
         57.57000000
         20.14000000
          8.11200000
          3.49900000
          1.56500000
          0.65380000
  0.008995003600
  0.052376928000
  0.170121920000
  0.332476920000
  0.393839580000
  0.226011840000
  0.032758678000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PQR-2P
End of Spectral Representation Operator

/As.CG-AIMP.Barandiaran.9s8p4d.1s1p2d.ECP.5el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
ARSENIC (9s,8p,4d) -> [1s,1p,2d]
********************************************************************************
*relativistic   core[Ar,3d] val[4s,4p]     (911/811/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*ASQR-SP(9/8/31)
********************************************************************************
     5.0   2
* s-type functions
    9    1
       7672.15941000
       1066.99271000
        228.49187500
         21.87208560
          8.21950846
          4.52310012
          1.80086472
       2854.84953e-4
       1063.30446e-4
 -0.001747098590
 -0.012063461700
 -0.038840001100
  0.168586104000
  0.118711215000
 -0.240791899000
 -0.449239631000
  0.733354626000
  0.445265989000
* p-type functions
    8    1
        514.96366900
        118.57764500
         36.08206900
          5.05036344
          2.12816106
       4299.73153e-4
       1773.64554e-4
       6912.60409e-5
  0.003934714800
  0.024496393800
  0.059507067200
 -0.138707298000
 -0.148657721000
  0.327727550000
  0.546499082000
  0.263471043000
* d-type functions
    4    2
         16.92200000
          4.22070000
          1.12282000
          0.29300000
  0.302770665000  0.000000000000
  0.600604450000  0.000000000000
  0.377225481000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: ASQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.3890000000e5  4.9290000000e4  1.1270000000e4  3.1310000000e3  9.9760000000e2  3.3020000000e2  1.0840000000e2 44.570000000000 11.230000000000  4.679000000000  1.714000000000
  0.052936350000  0.066678410000  0.122346244000  0.213751780000  0.319823400000  0.381144920000  0.736203560000  0.837902440000  1.049100500000  1.502406000000  0.317706400000
M2
  0
COREREP
 1.0
PROJOP
    2
   10    3
  8.7884240000e2  1.1565869000e2 16.557960000000
      20100.00000000
       3365.00000000
        896.60000000
        298.90000000
        112.90000000
         32.77000000
         14.37000000
          5.33900000
          2.50000000
          1.07700000
  0.016328529000  0.005176101400  0.002038343500
  0.081261869000  0.028115337000  0.011002766000
  0.254373820000  0.091274013000  0.036502256000
  0.447589970000  0.219118480000  0.089638988000
  0.325513970000  0.198025830000  0.088177355000
  0.038420407000 -0.454183020000 -0.276509910000
 -0.014390493000 -0.622916200000 -0.549366270000
  0.005966896900 -0.099524569000  0.231144770000
 -0.002530626600  0.010702890000  0.795469300000
  0.001100600600 -0.002585785400  0.247904740000
    8    2
  1.0109413000e2 11.875392000000
        830.60000000
        211.00000000
         73.34000000
         29.38000000
         12.73000000
          5.27800000
          2.23600000
          0.91200000
  0.020426488000  0.007979574300
  0.113574020000  0.047113877000
  0.325127550000  0.139484070000
  0.460836710000  0.219409610000
  0.241945560000 -0.001113785800
  0.027130684000 -0.469339230000
 -0.000029313614 -0.511331700000
  0.000185628750 -0.129296020000
    6    1
  4.138385600000
         75.87000000
         22.70000000
          8.46000000
          3.34100000
          1.32300000
          0.48850000
  0.029813264000
  0.144878560000
  0.335794450000
  0.423897100000
  0.299893440000
  0.080268567000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ASQR-3D
End of Spectral Representation Operator

/Sb.CG-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.15el.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 101 (1994) 4049-4054. doi:10.1063/1.467522
ANTIMONY (11s,10p,7d) -> [1s,1p,2d]
********************************************************************************
*relativistic   core[Kr] val[4d,5s,5p] (11,11/10,11/611*)=3s3p3d recommended
*SBQR-DSP(A1/A0/61)
********************************************************************************
    15.0   2
* s-type functions
   11    1
      26370.88780000
       3250.18798000
        641.02215300
         58.15782250
         21.67249270
         11.90383930
          5.87798842
          2.80171921
          1.24709739
       2197.60362e-4
       8557.95868e-5
  0.000960055463
  0.006715210330
  0.023133867500
 -0.111171649000
 -0.065679106400
  0.239331296000
  0.265525423000
 -0.281075039000
 -0.593462744000
  0.779997289000
  0.439753962000
* p-type functions
   10    1
       1516.70063000
        343.38549400
        105.06951100
         15.06937000
          6.42965408
          3.28712241
          1.42536892
       2861.65018e-4
       1266.19977e-4
       5333.43166e-5
 -0.002069205900
 -0.013448027600
 -0.035308693600
  0.109268241000
  0.074781892600
 -0.171526185000
 -0.242733512000
  0.387529985000
  0.533229974000
  0.215180395000
* d-type functions
    7    2
        187.70647800
         53.79177660
         18.66628480
          2.92545182
          1.18780643
       4463.07652e-4
          0.21100000
 -0.019948841200  0.000000000000
 -0.107757676000  0.000000000000
 -0.210974738000  0.000000000000
  0.445486085000  0.000000000000
  0.506425986000  0.000000000000
  0.192153704000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: SBQR-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.9460000000e5  6.1820000000e4  1.4870000000e4  4.2990000000e3  1.3810000000e3  4.3360000000e2  1.6720000000e2 52.420000000000 22.380000000000  7.037000000000  3.270000000000
  1.603000000000
  0.028835511333  0.034720024667  0.062692552000  0.103548066667  0.136803913333  0.209700460000  0.357665720000  0.240932660000  0.709208133333  0.129336546667  0.336127206667
  0.050429182667
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  2.2565010000e3  3.5036474000e2 71.652664000000 12.962227000000
      82190.00000000
      12060.00000000
       2937.00000000
        914.90000000
        327.30000000
         96.40000000
         43.63000000
         16.98000000
          8.87000000
          4.17600000
          1.86000000
          0.81110000
  0.013944240000  0.004864552700  0.002158608100  0.000963129060
  0.066058252000  0.024566331000  0.011015065000  0.004803825800
  0.217209310000  0.083582912000  0.037652184000  0.016835441000
  0.434387450000  0.211729780000  0.098912595000  0.043502013000
  0.385404050000  0.236596740000  0.116685370000  0.053650938000
  0.062418056000 -0.362392640000 -0.257383370000 -0.128368530000
 -0.029220572000 -0.669688940000 -0.660532510000 -0.338841830000
  0.014160028000 -0.158061140000  0.125468410000  0.066426432000
 -0.007546298700  0.030107827000  0.908315250000  0.944522940000
  0.006548828500 -0.010054008000  0.252994860000  0.136966520000
 -0.003521783300  0.003026586800  0.004223504900 -1.016327000000
  0.000127279480 -0.001096869700  0.001084376000 -0.366637670000
    9    3
  3.1429802000e2 59.563188000000  9.074583100000
       1567.00000000
        390.30000000
        133.60000000
         52.89000000
         20.19000000
          8.91000000
          3.58000000
          1.61600000
          0.66830000
  0.036322113000  0.017583324000  0.007466961500
  0.187955300000  0.092045883000  0.039547891000
  0.445676530000  0.245388970000  0.107069560000
  0.426356390000  0.184120110000  0.076154292000
  0.094268278000 -0.413706090000 -0.259460560000
 -0.010945469000 -0.617401770000 -0.403184940000
  0.004574429000 -0.123594330000  0.340712130000
 -0.001532571400  0.008092227200  0.680989450000
  0.000812477910 -0.002340783000  0.193586340000
    7    1
 41.072165000000
        159.70000000
         47.99000000
         17.92000000
          7.36300000
          2.83000000
          1.10600000
          0.40200000
  0.067660326000
  0.292877650000
  0.504046830000
  0.324719780000
  0.045198791000
 -0.002263767700
  0.000541818150
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SBQR-4P
End of Spectral Representation Operator

/Bi.CG-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.15el.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 101 (1994) 4049-4054. doi:10.1063/1.467522
BISMUTH (13s,12p,8d,5f) -> [1s,1p,2d,1f]
********************************************************************************
*relativistic core[Xe,4f] val[5d,6s,6p] SO-corr (13,11/12,111/711*/5o1)=3s4p3d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* - (5o) f orthogonality function is the 4f core orbital
*
*BIQR-DSP(A3/A2/71/5)-SO
********************************************************************************
    15.0   3
* s-type functions
   13    1
    1250478.46000000
      94581.95760000
      12532.83160000
       2355.78451000
        196.71069100
        124.24677800
         32.93487430
         23.92041980
          6.79208076
          4.11070512
          1.38204226
       2202.43445e-4
       8543.08596e-5
 -0.000138694567
 -0.000930830846
 -0.004737208660
 -0.013842282100
  0.067412880000
  0.011242493500
 -0.276250162000
  0.054465804900
  0.613517109000
 -0.182698932000
 -0.823099954000
  0.841903673000
  0.388326015000
* p-type functions
   12    1
       5672.47366000
       1204.28484000
        354.79193000
         51.62714730
         21.04379090
         12.96046870
          7.25584488
          2.15820126
          1.08015576
       2731.15304e-4
       1183.88227e-4
       4931.10988e-5
  0.000730952573
  0.007861155060
  0.022099327700
 -0.074785420800
 -0.031999730100
  0.109722912000
  0.120398323000
 -0.233360855000
 -0.210562965000
  0.383043804000
  0.553947683000
  0.215282262000
* d-type functions
    8    2
        732.75992200
        211.58972400
         76.85176510
         16.52371160
          9.75417652
          1.71166572
       5753.13546e-4
          0.18500000
  0.007477516320  0.000000000000
  0.045537654500  0.000000000000
  0.101554635000  0.000000000000
 -0.120455233000  0.000000000000
 -0.232461928000  0.000000000000
  0.627756378000  0.000000000000
  0.491956815000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
        102.85000000
         34.07000000
         13.37000000
          5.42600000
          2.06500000
  0.070155585000
  0.280514130000
  0.470756860000
  0.380262790000
  0.113280500000
********************************************************************************
* Core AIMP: BIQR-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  3.9196000000e6  5.0098000000e5  1.0463700000e5  2.7012000000e4  8.0881000000e3  2.5812000000e3  8.7928000000e2  3.6869000000e2  1.1177300000e2 65.596000000000 16.629000000000
  7.328600000000  2.952900000000  1.434000000000
  0.020888807333  0.028977200667  0.054610074667  0.095415386667  0.143202926667  0.190749206667  0.356904000000  0.337101393333  0.753327800000  0.368786813333  1.270603466667
  0.433230520000  0.419919206667  0.059616530667
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  6.7203841000e3  1.2196559000e3  2.9968138000e2 71.681054000000 13.387018000000
    1160100.00000000
     132100.00000000
      26770.00000000
       7307.00000000
       2409.00000000
        905.40000000
        310.20000000
        137.10000000
         51.80000000
         27.86000000
         11.51000000
          6.18800000
          2.52200000
          1.37100000
          0.64440000
  0.010131871000  0.004152235100  0.001999274400  0.001013590000  0.000460557100
  0.036117218000  0.014968021000  0.007290657900  0.003680847300  0.001668660000
  0.107397740000  0.047314357000  0.023003527000  0.011710247000  0.005327987200
  0.260228060000  0.119448670000  0.059391371000  0.030093735000  0.013651375000
  0.420899980000  0.232110980000  0.117265930000  0.060433353000  0.027594359000
  0.327276000000  0.167565640000  0.086928601000  0.043852995000  0.019814271000
  0.044402562000 -0.415034230000 -0.351642670000 -0.201623000000 -0.094237651000
 -0.033840846000 -0.646609450000 -0.671406990000 -0.426417380000 -0.205872530000
  0.011277517000 -0.133051460000  0.405243240000  0.446655120000  0.246901740000
  0.008293523700  0.042804314000  0.837561490000  1.032076000000  0.591085600000
  0.001519333700 -0.016317464000  0.138767740000 -0.531587350000 -0.463101050000
 -0.009172534900  0.005272700500 -0.027397362000 -0.912733380000 -1.062577700000
  0.001855110700 -0.004379281600  0.009292754200 -0.102681110000  0.427880690000
  0.001122632800  0.003782393600 -0.003907250600  0.015340847000  0.898085130000
  0.000565254840 -0.000344187090  0.001136448900 -0.002462957500  0.187232170000
   12    4
  1.0478327000e3  2.4967497000e2 54.965658000000 68.493201000000
       9518.00000000
       2229.00000000
        743.40000000
        294.30000000
        129.59000000
         57.60000000
         27.92000000
         12.50400000
          6.08400000
          2.56000000
          1.20190000
          0.50840000
  0.016511010000  0.008693798200  0.004460000000  0.001892099600
  0.089025272000  0.049188494000  0.024875773000  0.010697453000
  0.277552010000  0.158282650000  0.082594587000  0.035263416000
  0.456804100000  0.282353900000  0.146108030000  0.063379058000
  0.305106630000  0.054135792000  0.009228535400  0.000391587120
  0.044356139000 -0.539802180000 -0.455977670000 -0.215540660000
 -0.008296558700 -0.498409380000 -0.324444710000 -0.147197450000
  0.003348040100 -0.080952370000  0.583930980000  0.418140740000
  0.002652897800  0.007539066200  0.595328000000  0.416071730000
 -0.000303367020 -0.002705944600  0.077342364000 -0.501874680000
 -0.001225572500  0.000203066110 -0.006041009600 -0.634668800000
 -0.000191372760 -0.000435667420  0.001173199600 -0.130824080000
   10    2
  1.9717180000e2 35.053650000000
        704.90000000
        215.00000000
         84.17000000
         36.87000000
         16.10400000
          7.32700000
          3.25500000
          1.46020000
          0.62570000
          0.24520000
  0.041073365000  0.022418962000
  0.210001110000  0.115116520000
  0.455528780000  0.253553260000
  0.404461310000  0.106716710000
  0.101720760000 -0.429154740000
 -0.002095456700 -0.547367930000
  0.002124592100 -0.159523450000
 -0.000674044450 -0.002978387900
  0.000749286240 -0.001496618200
 -0.000058559333  0.000537262080
    5    1
 13.188006000000
        102.85000000
         34.07000000
         13.37000000
          5.42600000
          2.06500000
  0.070155585000
  0.280514130000
  0.470756860000
  0.380262790000
  0.113280500000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
BIQR-4F
End of Spectral Representation Operator

********************************************************************************
*         C.1.1.6. Group VIA Elements (Calcogens)
********************************************************************************

/O.CG-AIMP.Barandiaran.5s6p1d.1s2p1d.ECP.6el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
OXYGEN (5s,6p,1d) -> [1s,2p,1d]
********************************************************************************
*relativistic core[He] val[2s,2p]     (51/5111a/1*)=2s4p1d recommended
*
* - p diffuse functions for anion from
*   T.H. Dunning, Jr., P.J. Hay, in "Modern Theoretical Chemistry",
*   ed. by H.F. Schaefer III (Plenum, New York, 1977) p. 1. doi:10.1007/978-1-4757-0887-5_1
*
*OQR-SP(5/51/1)                (41/3111/1)
********************************************************************************
     6.0   2
* s-type functions
    5    1
        319.64094000
         47.94871100
         10.44693690
       8403.30529e-4
       2630.99254e-4
 -0.013636276600
 -0.087872537600
 -0.244360019000
  0.631925276000
  0.464805047000
* p-type functions
    6    2
         34.79728950
          7.81898481
          2.30023518
       7216.31117e-4
       2154.14476e-4
          0.05900000
  0.015768361200  0.000000000000
  0.098887296400  0.000000000000
  0.308820860000  0.000000000000
  0.491381697000  0.000000000000
  0.338525050000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    1    1
          1.15400000
  1.000000000000
********************************************************************************
* Core AIMP: OQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  7
  2.0030754000e5  1.8504950000e4  2.9288146000e3  5.9580380000e2  1.4931180000e2 44.989698000000 15.395210000000
  0.005997019833  0.010631416167  0.023150785000  0.047562630000  0.090888160000  0.114899491667  0.040203830000
M2
  0
COREREP
 1.0
PROJOP
    0
    6    1
 41.373736000000
       1144.70000000
        208.62000000
         58.06000000
         19.69200000
          7.45800000
          2.82370000
  0.012220217000
  0.064269186000
  0.206351370000
  0.406813960000
  0.381622680000
  0.082920574000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
OQR-1S
End of Spectral Representation Operator

/S.CG-AIMP.Barandiaran.7s6p1d.1s1p1d.ECP.6el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
SULFUR (7s,6p,1d) -> [1s,1p,1d]
********************************************************************************
*relativistic core[Ne] val[3s,3p]     (71/611/1*)=2s3p1d recommended
*SQR-SP(7/6/1)
********************************************************************************
     6.0   2
* s-type functions
    7    1
       1421.98953000
        211.02665600
         46.72165060
          4.31056404
          1.96647584
       4015.38379e-4
       1453.05879e-4
  0.004499703540
  0.030157124800
  0.089332590700
 -0.288438151000
 -0.279252515000
  0.700286615000
  0.482409523000
* p-type functions
    6    1
         78.08932440
         17.68304310
          4.96634081
       5611.64678e-4
       2130.78269e-4
        817.24154e-4
 -0.015853278200
 -0.084808963800
 -0.172934245000
  0.420961662000
  0.506647309000
  0.200082121000
* d-type functions
    1    1
          0.42100000
  1.000000000000
********************************************************************************
* Core AIMP: SQR-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  2.3748501000e5  2.4909635000e4  4.5198331000e3  1.0828547000e3  3.1056100000e2 96.918510000000 26.630590000000  9.762505000000  4.014487500000
  0.019335998333  0.031229360000  0.061638463333  0.114969451667  0.190198283333  0.211928633333  0.336340950000  0.538432350000  0.162593178333
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
  1.8466632000e2 18.112696000000
       3459.00000000
        620.30000000
        171.40000000
         58.53000000
         22.44000000
          6.55300000
          2.77700000
          1.15500000
  0.018538249000  0.005054826900
  0.094569248000  0.028197248000
  0.283859290000  0.088959130000
  0.454711270000  0.199724180000
  0.279041370000  0.158375340000
  0.025985763000 -0.381198090000
 -0.005481472900 -0.621887210000
  0.001288714400 -0.151789890000
    7    1
 13.370316000000
        274.00000000
         70.57000000
         24.74000000
          9.99500000
          4.33000000
          1.94600000
          0.81790000
  0.008300916100
  0.048924254000
  0.162411660000
  0.327163550000
  0.398615170000
  0.232548200000
  0.034091088000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SQR-2P
End of Spectral Representation Operator

/Se.CG-AIMP.Barandiaran.9s8p4d.1s1p2d.ECP.6el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
SELENIUM (9s,8p,4d) -> [1s1p2d]
********************************************************************************
*relativistic core[Ar,3d] val[4s,4p]     (911/811/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*SEQR-SP(9/8/31)
********************************************************************************
     6.0   2
* s-type functions
    9    1
       8311.12208000
       1148.20734000
        244.74608700
         23.39122330
          8.85699263
          4.92239483
          2.02079231
       3376.56775e-4
       1266.34202e-4
 -0.001864268500
 -0.012913496600
 -0.041817980400
  0.182075549000
  0.126407012000
 -0.250932932000
 -0.485502669000
  0.756627063000
  0.436233894000
* p-type functions
    8    1
        553.10678200
        127.26834500
         38.77381110
          5.51604929
          2.40581952
       5076.40105e-4
       2070.22195e-4
       7911.45563e-5
  0.004311729360
  0.026938305300
  0.065622628700
 -0.150233299000
 -0.161835534000
  0.352206720000
  0.539224709000
  0.254646622000
* d-type functions
    4    2
         19.24700000
          4.87230000
          1.33181000
          0.33800000
  0.293356602000  0.000000000000
  0.601188487000  0.000000000000
  0.377552362000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: SEQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.4940000000e5  4.9730000000e4  1.1160000000e4  3.0570000000e3  9.6500000000e2  3.1320000000e2  1.0590000000e2 44.800000000000 11.790000000000  5.102000000000  1.972000000000
  0.045382076667  0.058126965000  0.108133943333  0.188889500000  0.278106116667  0.332320350000  0.649169833333  0.644583866667  0.897611583333  1.218419950000  0.245922483333
M2
  0
COREREP
 1.0
PROJOP
    2
   10    3
  9.3721754000e2  1.2480019000e2 18.438811000000
      21120.00000000
       3522.00000000
        937.50000000
        313.00000000
        118.80000000
         35.14000000
         15.44000000
          5.80500000
          2.73000000
          1.18300000
  0.016806480000  0.005369344400  0.002135220400
  0.083229108000  0.028919737000  0.011442241000
  0.258525310000  0.093629048000  0.037835037000
  0.448397860000  0.221436550000  0.091671547000
  0.319216430000  0.194995280000  0.087855332000
  0.037051209000 -0.453558720000 -0.279803020000
 -0.013776672000 -0.622720840000 -0.555679730000
  0.005569305600 -0.101396510000  0.225299460000
 -0.002226572400  0.010346910000  0.806926050000
  0.001052809000 -0.002428564100  0.244955870000
    8    2
  1.0944307000e2 13.454428000000
        915.40000000
        232.00000000
         80.46000000
         32.20000000
         13.96000000
          5.78400000
          2.46900000
          1.01700000
  0.019495908000  0.007720593500
  0.109530120000  0.046090204000
  0.318895160000  0.138649840000
  0.461282790000  0.222956600000
  0.250125380000  0.007329404200
  0.029501318000 -0.469119480000
 -0.000295746720 -0.515872800000
  0.000215015320 -0.126732570000
    6    1
  5.194132100000
         82.50000000
         24.80000000
          9.33000000
          3.74500000
          1.51700000
          0.57140000
  0.030169369000
  0.146589980000
  0.337579890000
  0.423938470000
  0.292526010000
  0.073033577000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SEQR-3D
End of Spectral Representation Operator

/Te.CG-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.16el.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 101 (1994) 4049-4054. doi:10.1063/1.467522
TELLURIUM (11s,10p,7d) -> [1s,1p,2d]
********************************************************************************
*relativistic core[Kr] val[4d,5s,5p]     (11.11/10,11/611*)=3s3p3d recommended
*TEQR-DSP(A1/A0/61)
********************************************************************************
    16.0   2
* s-type functions
   11    1
      28098.28090000
       3433.02678000
        673.12495200
         61.30304750
         27.71993850
         13.56873620
          7.65494522
          2.95464132
          1.41558445
       2487.68399e-4
        975.24806e-4
  0.001022971830
  0.007162675030
  0.024735732400
 -0.115361843000
 -0.049635858200
  0.138431536000
  0.331252312000
 -0.210989357000
 -0.667424362000
  0.821844047000
  0.410116896000
* p-type functions
   10    1
       1595.12770000
        360.27913900
        110.03867000
         16.07076480
          7.46075644
          3.47613286
          1.59867664
       3259.45292e-4
       1400.01589e-4
       5792.02412e-5
 -0.002253403870
 -0.014695066200
 -0.038738086100
  0.115086905000
  0.075048066300
 -0.168899491000
 -0.265620367000
  0.427483608000
  0.523752619000
  0.193352214000
* d-type functions
    7    2
        198.57808700
         56.97055950
         19.83069530
          3.15177812
          1.30108853
       4987.46865e-4
          0.23700000
 -0.020391475100  0.000000000000
 -0.110799976000  0.000000000000
 -0.218194356000  0.000000000000
  0.454807872000  0.000000000000
  0.503680285000  0.000000000000
  0.177348984000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: TEQR-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  4.1030000000e5  6.4220000000e4  1.5390000000e4  4.4080000000e3  1.3920000000e3  4.3160000000e2  1.6900000000e2 52.560000000000 23.460000000000  7.448000000000  3.555000000000
  1.773000000000
  0.027174105000  0.032776712500  0.059470267500  0.099156862500  0.131434050000  0.205264156250  0.330135037500  0.228186025000  0.655875312500  0.112296487500  0.318976606250
  0.049254366250
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  2.3544935000e3  3.6823309000e2 76.319320000000 14.228100000000
      80690.00000000
      11960.00000000
       2967.00000000
        933.90000000
        336.30000000
         99.90000000
         44.93000000
         17.08000000
          9.08000000
          4.25600000
          1.96000000
          0.86810000
  0.015102356000  0.005298054800  0.002367650400  0.001065739700
  0.069333191000  0.025951077000  0.011662781000  0.005162716900
  0.221514950000  0.085834446000  0.038951017000  0.017585895000
  0.435183870000  0.214278350000  0.100406650000  0.044824212000
  0.378557630000  0.231867390000  0.115428470000  0.053532338000
  0.059088151000 -0.375312220000 -0.270942960000 -0.136116240000
 -0.027709663000 -0.667720450000 -0.661186010000 -0.346810190000
  0.013499173000 -0.151255910000  0.173012540000  0.107993960000
 -0.007030583500  0.034113940000  0.896000580000  0.959563020000
  0.006403973500 -0.011382553000  0.230611980000  0.089939279000
 -0.003689213500  0.003615278800  0.002125916400 -1.026117200000
  0.000130098180 -0.001235416500  0.001184972500 -0.348452870000
    9    3
  3.3034833000e2 63.658237000000 10.112869000000
       1789.00000000
        442.80000000
        150.60000000
         59.18000000
         22.91000000
         10.14000000
          4.27400000
          1.91100000
          0.78780000
  0.031896946000  0.015418442000  0.006712660000
  0.170024930000  0.083834935000  0.036328066000
  0.427891970000  0.233729620000  0.104285030000
  0.447226790000  0.212506910000  0.089685527000
  0.113422820000 -0.353806610000 -0.221973910000
 -0.011105177000 -0.642736030000 -0.443805710000
  0.004895988800 -0.158326810000  0.242738890000
 -0.001563225900  0.004311217900  0.727522360000
  0.000895960830 -0.001908550100  0.235329360000
    7    1
 44.456337000000
        184.00000000
         55.19000000
         20.61000000
          8.45900000
          3.24900000
          1.28600000
          0.47270000
  0.057628346000
  0.265780070000
  0.494991530000
  0.357583830000
  0.058021004000
 -0.003187041200
  0.000825467070
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TEQR-4P
End of Spectral Representation Operator

/Po.CG-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.16el.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 101 (1994) 4049-4054. doi:10.1063/1.467522
POLONIUM (13s,12p,8d,5f) -> [1s,1p,2d,1f]
********************************************************************************
*relativistic core[Xe,4f] val[5d,6s,6p] SO-corr (13,11/12,111/711*/5o1)=3s4p3d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* - (5o) f orthogonality function is the 4f core orbital
*
*POQR-DSP(A3/A2/71/5)-SO
********************************************************************************
    16.0   3
* s-type functions
   13    1
    1305185.12000000
      97931.16870000
      12823.13300000
       2420.76711000
        207.59056400
        106.17847200
         37.67282980
         27.36683800
          7.55884981
          2.61796360
          1.42062305
       2510.51412e-4
       9800.06312e-5
 -0.000146728016
 -0.000982813850
 -0.005015807700
 -0.014222855100
  0.067701749700
  0.021153560800
 -0.214412709000
 -0.037533405300
  0.558791490000
 -0.165804109000
 -0.801769302000
  0.868505150000
  0.386749485000
* p-type functions
   12    1
       5853.94547000
       1240.71833000
        365.16216400
         53.76290320
         22.68641750
         15.60495350
          8.26178259
          2.20979329
          1.11341333
       3433.32446e-4
       1496.18919e-4
       5984.97572e-5
  0.000738523174
  0.008631674430
  0.024209338200
 -0.079775341900
 -0.048301131600
  0.096394567400
  0.163089105000
 -0.269003185000
 -0.219430976000
  0.345606648000
  0.569894010000
  0.259065436000
* d-type functions
    8    2
        759.18595200
        219.12876600
         79.60054800
         16.83677360
         10.03775740
          1.83133728
       6328.23508e-4
          0.20400000
  0.007676810980  0.000000000000
  0.047103001600  0.000000000000
  0.105749507000  0.000000000000
 -0.132698603000  0.000000000000
 -0.234350403000  0.000000000000
  0.636907057000  0.000000000000
  0.478947536000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
        108.07000000
         35.88000000
         14.14000000
          5.78100000
          2.22700000
  0.068712423000
  0.277685910000
  0.470235610000
  0.381210950000
  0.112753230000
********************************************************************************
* Core AIMP: POQR-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  3.5204000000e6  4.5728000000e5  9.6867000000e4  2.5402000000e4  7.6651000000e3  2.4142000000e3  8.2688000000e2  3.3919000000e2  1.0665300000e2 56.976000000000 17.029000000000
  7.247600000000  3.011900000000  1.458000000000
  0.020956770625  0.028766777500  0.053654625000  0.092578437500  0.138097831250  0.188494568750  0.359150731250  0.296797043750  0.828736437500  0.207287062500  1.214109812500
  0.391742693750  0.386621787500  0.043005358125
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  6.9126093000e3  1.2599840000e3  3.1117052000e2 75.328591000000 14.524462000000
    1229900.00000000
     138400.00000000
      27870.00000000
       7602.00000000
       2504.00000000
        938.90000000
        320.80000000
        141.60000000
         53.42000000
         28.71000000
         11.79000000
          6.35300000
          2.51900000
          1.37100000
          0.65290000
  0.010314985000  0.004246490700  0.002047620600  0.001041568800  0.000478366410
  0.036604987000  0.015246923000  0.007437343000  0.003764801400  0.001729053200
  0.107761630000  0.047717092000  0.023233300000  0.011870268000  0.005456057400
  0.259036180000  0.119369370000  0.059441416000  0.030189883000  0.013880818000
  0.419592830000  0.231556710000  0.117066980000  0.060564216000  0.027915259000
  0.329562550000  0.167575040000  0.086789145000  0.043761967000  0.020130141000
  0.045369879000 -0.414276370000 -0.352193750000 -0.202440610000 -0.096099002000
 -0.034836251000 -0.647025880000 -0.670826760000 -0.427992220000 -0.208537490000
  0.011707026000 -0.132724440000  0.409731330000  0.456733300000  0.254230070000
  0.008630853100  0.042976119000  0.835902540000  1.029143300000  0.601173450000
  0.001244083000 -0.016304313000  0.136384320000 -0.556296950000 -0.503398850000
 -0.009345238800  0.004903150300 -0.027659744000 -0.900218290000 -1.059446600000
  0.002135341500 -0.004020312700  0.009288280600 -0.095356389000  0.537760140000
  0.001088348500  0.003765974200 -0.004040134200  0.016691915000  0.847580430000
  0.000502973550 -0.000403193730  0.001175823400 -0.002712719500  0.146803090000
   12    4
  1.0796233000e3  2.5888515000e2 57.858538000000  9.347534800000
       9676.00000000
       2264.00000000
        754.60000000
        299.20000000
        132.04000000
         59.12000000
         28.76000000
         12.98100000
          6.35500000
          2.71400000
          1.28830000
          0.55140000
  0.016954751000  0.008963207200  0.004612454300  0.001990776300
  0.091016790000  0.050390551000  0.025607801000  0.011188055000
  0.281300510000  0.161059370000  0.084353672000  0.036633438000
  0.457016160000  0.282391090000  0.146741430000  0.064665937000
  0.300462290000  0.048535648000  0.005240396700 -0.001435613700
  0.042537698000 -0.540582850000 -0.458579730000 -0.220856590000
 -0.008080345900 -0.495110710000 -0.323805680000 -0.149135640000
  0.003256542600 -0.081247707000  0.580761880000  0.424822580000
  0.002894169100  0.007528902700  0.597312920000  0.429107330000
 -0.000367334200 -0.002702759000  0.079848141000 -0.501806220000
 -0.001271828500  0.000140524660 -0.005879060700 -0.642577550000
 -0.000205344030 -0.000438366130  0.001106021900 -0.128811550000
   10    2
  2.0474766000e2 37.288289000000
        743.80000000
        227.30000000
         89.10000000
         39.06000000
         17.13400000
          7.84800000
          3.52600000
          1.60420000
          0.69820000
          0.27610000
  0.039192177000  0.021511321000
  0.202187980000  0.111542060000
  0.448333960000  0.251434860000
  0.412702330000  0.120451920000
  0.109687140000 -0.411263430000
 -0.001773938500 -0.554954450000
  0.002268592700 -0.171790780000
 -0.000746725390 -0.004323795100
  0.000815964290 -0.001485793900
 -0.000068038181  0.000551362970
    5    1
 14.792992000000
        108.07000000
         35.88000000
         14.14000000
          5.78100000
          2.22700000
  0.068712423000
  0.277685910000
  0.470235610000
  0.381210950000
  0.112753230000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
POQR-4F
End of Spectral Representation Operator

********************************************************************************
*         C.1.1.7. Group VIIA Elements (Halogens)
********************************************************************************

/F.CG-AIMP.Barandiaran.5s6p1d.1s2p1d.ECP.7el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
FLUORINE (5s,6p,1d) -> [1s,2p,1d]
********************************************************************************
*relativistic core[He] val[2s,2p]     (51/5111a/1*)=2s4p1d recommended
*
* - p diffuse functions for anion from
*   T.H. Dunning, Jr., P.J. Hay, in "Modern Theoretical Chemistry",
*   ed. by H.F. Schaefer III (Plenum, New York, 1977) p. 1. doi:10.1007/978-1-4757-0887-5_1
*
*FQR-SP(5/51/1)
********************************************************************************
     7.0   2
* s-type functions
    5    1
        412.31249900
         61.87290930
         13.55422490
          1.09585080
       3401.13354e-4
 -0.013719776600
 -0.088854330000
 -0.247855833000
  0.634045788000
  0.463662781000
* p-type functions
    6    2
         44.17359600
          9.98210122
          2.94697199
          0.91843652
       2684.72771e-4
          0.07400000
  0.016591115300  0.000000000000
  0.104018132000  0.000000000000
  0.316197719000  0.000000000000
  0.487542407000  0.000000000000
  0.335934365000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    1    1
          1.49600000
  1.000000000000
********************************************************************************
* Core AIMP: FQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  7
  2.1474740000e5  2.1359749000e4  3.5359776000e3  7.3897300000e2  1.8795132000e2 57.088846000000 19.603507000000
  0.005509986857  0.009311551857  0.020010808571  0.040871752857  0.077858502857  0.098056947143  0.034094735714
M2
  0
COREREP
 1.0
PROJOP
    0
    6    1
 52.825373000000
       1404.10000000
        255.20000000
         70.87000000
         24.03000000
          9.11000000
          3.41200000
  0.012823025000
  0.067408973000
  0.215457280000
  0.416086850000
  0.369979540000
  0.072286347000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
FQR-1S
End of Spectral Representation Operator

/Cl.CG-AIMP.Barandiaran.7s7p1d.1s2p1d.ECP.7el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
CHLORINE (7s,7p,1d) -> [1s,2p,1d]
********************************************************************************
*relativistic core[Ne] val[3s,3p]     (71/6111a/1*)=2s4p1d recommended
*
* - p diffuse functions for anion from
*   T.H. Dunning, Jr., P.J. Hay, in "Modern Theoretical Chemistry",
*   ed. by H.F. Schaefer III (Plenum, New York, 1977) p. 1. doi:10.1007/978-1-4757-0887-5_1
*
*CLQR-SP(7/61/1)               (61/4111/1)
********************************************************************************
     7.0   2
* s-type functions
    7    1
       1624.20676000
        240.42851200
         53.24486840
          4.94671650
          2.32441625
       4905.50201e-4
       1773.85839e-4
  0.004739567470
  0.031842847200
  0.094806068900
 -0.312804805000
 -0.275363899000
  0.713439129000
  0.475413978000
* p-type functions
    7    2
         92.97652070
         21.13118850
          6.00837893
       7000.66199e-4
       2638.03987e-4
       9954.93727e-5
          0.04900000
 -0.016034520600  0.000000000000
 -0.087481071700  0.000000000000
 -0.182621238000  0.000000000000
  0.430039964000  0.000000000000
  0.502442666000  0.000000000000
  0.198252056000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    1    1
          0.51400000
  1.000000000000
********************************************************************************
* Core AIMP: CLQR-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  2.4352824000e5  2.6351960000e4  4.8893953000e3  1.1870639000e3  3.4529730000e2  1.0947253000e2 30.681295000000 11.407986000000  4.760681700000
  0.017430648571  0.027528717143  0.053943637143  0.100170490000  0.163089857143  0.180702942857  0.287916442857  0.460338614286  0.137450081429
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
  2.1061562000e2 21.354021000000
       3929.00000000
        705.30000000
        196.10000000
         67.33000000
         25.84000000
          7.42300000
          3.15700000
          1.30000000
  0.018581161000  0.005141034900
  0.093893853000  0.028493392000
  0.279931590000  0.088917562000
  0.451789300000  0.201292530000
  0.285603100000  0.162635910000
  0.027470973000 -0.398034810000
 -0.006334092300 -0.621600190000
  0.001429809800 -0.135748510000
    7    1
 16.154376000000
        329.00000000
         84.77000000
         29.74000000
         12.03100000
          5.22600000
          2.35700000
          0.99510000
  0.007763960700
  0.046290121000
  0.156586320000
  0.323457100000
  0.402593980000
  0.236866150000
  0.034840559000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CLQR-2P
End of Spectral Representation Operator

/Br.CG-AIMP.Barandiaran.9s8p4d.1s1p2d.ECP.7el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
BROMINE (9s,8p,4d) -> [1s,1p,2d]
********************************************************************************
*relativistic core[Ar,3d] val[4s,4p]     (911/8111/3o1*)=3s4p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*BRQR-SP(9/8/31)
********************************************************************************
     7.0   2
* s-type functions
    9    1
       8934.74771000
       1227.84330000
        261.00912400
         25.08448110
          9.67580781
          5.45049062
          2.27282624
       3906.78612e-4
       1475.41385e-4
 -0.001969331390
 -0.013653782700
 -0.044339490000
  0.191917708000
  0.136398954000
 -0.251927561000
 -0.523169829000
  0.775392267000
  0.428363464000
* p-type functions
    8    1
        588.01724000
        135.47904600
         41.42742360
          6.04008628
          2.72830922
       5785.60434e-4
       2350.97127e-4
       9001.08952e-5
  0.004709304070
  0.029336301200
  0.071168108000
 -0.158022633000
 -0.174970644000
  0.382946479000
  0.532209944000
  0.233513933000
* d-type functions
    4    2
         21.62800000
          5.54340000
          1.54944000
          0.38900000
  0.286031501000  0.000000000000
  0.601750781000  0.000000000000
  0.377270650000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: BRQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.3038249000e5  4.7718619000e4  1.0783830000e4  2.9675324000e3  9.3963517000e2  3.0268193000e2  1.0474604000e2 44.647969000000 12.035930000000  5.342604800000  2.147700000000
  0.041349918571  0.052475810000  0.097775391429  0.169800971429  0.244784528571  0.296484657143  0.587650400000  0.514000985714  0.833739857143  0.989394185714  0.172543300000
M2
  0
COREREP
 1.0
PROJOP
    2
   10    3
  9.9759451000e2  1.3433011000e2 20.404000000000
      19417.84600000
       3408.07470000
        870.69354000
        287.74915000
        109.83055000
         44.75900400
         18.68781200
          7.85817430
          3.30939260
          1.39400000
  0.018793774000  0.006281274900  0.002487976300
  0.094683534000  0.032058741000  0.012975393000
  0.296852090000  0.114218710000  0.046184507000
  0.465283650000  0.230451940000  0.098612398000
  0.261351690000  0.197449130000  0.088096868000
  0.016473580000 -0.369443180000 -0.207608610000
  0.000741353190 -0.684191960000 -0.608456170000
 -0.002353809900 -0.149148580000  0.059229743000
  0.001847298300 -0.001305668500  0.868931090000
  0.000084660304 -0.000432076620  0.308840800000
    8    2
  1.1814592000e2 15.107869000000
        940.36404000
        238.70184000
         83.05400700
         33.38100300
         14.52381300
          6.12569550
          2.65303600
          1.10600000
  0.020725507000  0.008357416200
  0.114999280000  0.049039649000
  0.327789400000  0.145364880000
  0.460174020000  0.224837740000
  0.237916480000 -0.005896385700
  0.026497888000 -0.478283050000
  0.000036934620 -0.507589860000
  0.000077004363 -0.117274530000
    6    1
  6.315109000000
         96.24691000
         29.06600500
         10.97346000
          4.42568910
          1.80459100
          0.68350000
  0.026631031000
  0.134401870000
  0.326604460000
  0.429958070000
  0.302954730000
  0.074571885000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
BRQR-3D
End of Spectral Representation Operator

/I.CG-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.17el.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 101 (1994) 4049-4054. doi:10.1063/1.467522
IODINE (11s,10p,7d) -> [1s,1p,2d]
********************************************************************************
*relativistic core[Kr] val[4d,5s,5p]  (11,11/10,111/611*)=3s4p3d recommended
*IQR-DSP(A1/A0/61)
********************************************************************************
    17.0   2
* s-type functions
   11    1
      29984.07020000
       3634.65130000
        707.47456200
         63.46176880
         26.13652720
         12.40825030
          6.71575472
          3.09123267
          1.49623468
       2887.28435e-4
       1141.16489e-4
  0.001076675920
  0.007535185940
  0.026188213000
 -0.126244204000
 -0.052540807600
  0.265953624000
  0.266224247000
 -0.285495495000
 -0.677340394000
  0.830500150000
  0.424396497000
* p-type functions
   10    1
       1662.35703000
        375.78531400
        114.98437200
         16.87516590
          7.83128942
          3.77493746
          1.76702246
       3716.53859e-4
       1597.73238e-4
       6597.01814e-5
 -0.002456735470
 -0.015955614200
 -0.041950120700
  0.125728964000
  0.081849383100
 -0.176427072000
 -0.290651856000
  0.446780278000
  0.518485539000
  0.184636973000
* d-type functions
    7    2
        210.05960700
         60.31401070
         21.04791190
          3.37915818
          1.41261888
       5491.00496e-4
          0.26600000
 -0.020725583200  0.000000000000
 -0.113382287000  0.000000000000
 -0.224889316000  0.000000000000
  0.465182529000  0.000000000000
  0.500355207000  0.000000000000
  0.163482270000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: IQR-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  4.0790000000e5  6.4050000000e4  1.5400000000e4  4.4270000000e3  1.4030000000e3  4.3220000000e2  1.6970000000e2 49.940000000000 23.770000000000  5.877000000000  3.299000000000
  1.671000000000
  0.026240542353  0.031645661176  0.057190542353  0.094650058824  0.124700717647  0.202408370588  0.308701405882  0.243694752941  0.591986058824  0.178791558824  0.235520864706
  0.022116536471
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  2.4548530000e3  3.8662439000e2 81.140505000000 15.530341000000
      82090.00000000
      12060.00000000
       2967.00000000
        935.90000000
        340.30000000
        101.90000000
         45.53000000
         16.88000000
          8.95000000
          4.01600000
          1.97000000
          0.88810000
  0.015814161000  0.005567609400  0.002505344000  0.001136118000
  0.072831849000  0.027451403000  0.012360595000  0.005557174000
  0.231036430000  0.090156640000  0.041224170000  0.018756940000
  0.439193470000  0.219908140000  0.103381020000  0.046890143000
  0.365573450000  0.221990330000  0.111728840000  0.052129849000
  0.053174102000 -0.402795280000 -0.296852830000 -0.149953180000
 -0.025443328000 -0.657057500000 -0.656265340000 -0.353342710000
  0.012083463000 -0.135774590000  0.270505500000  0.195502670000
 -0.005313124400  0.034423015000  0.873418830000  0.972869180000
  0.005560520400 -0.011991014000  0.179956310000 -0.053392132000
 -0.003846127000  0.004420777400 -0.004949270200 -1.021673600000
  0.000183848950 -0.001377731600  0.001710532900 -0.288026920000
    9    3
  3.4683106000e2 67.885144000000 11.179446000000
       1786.00000000
        443.30000000
        151.40000000
         59.82000000
         23.03000000
         10.25000000
          4.23400000
          1.94000000
          0.81750000
  0.034215733000  0.016709145000  0.007339266700
  0.179038900000  0.088692162000  0.039241636000
  0.436492100000  0.241640400000  0.109024940000
  0.436983640000  0.199343090000  0.085564094000
  0.104086740000 -0.386955000000 -0.252004190000
 -0.011728546000 -0.629627990000 -0.432636900000
  0.005020872400 -0.139152150000  0.307246510000
 -0.001650356700  0.007125994700  0.707120270000
  0.000910731140 -0.002192159500  0.200872930000
    7    1
 47.956463000000
        181.80000000
         54.83000000
         20.64000000
          8.58200000
          3.39200000
          1.37300000
          0.51530000
  0.063994158000
  0.282524480000
  0.499004260000
  0.334915830000
  0.051087779000
 -0.002335283300
  0.000538709530
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
IQR-4P
End of Spectral Representation Operator

/At.CG-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.17el.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 101 (1994) 4049-4054. doi:10.1063/1.467522
ASTATINE (13s,12p,8d,5f) -> [1s,1p,2d,1f]
********************************************************************************
*relativistic core[Xe,4f] val[5d,6s,6p] SO-corr (13,11/12,111/711*/5o1)=3s4p3d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* - (5o) f orthogonality function is the 4f core orbital
*
*ATQR-DSP(A3/A2/71/5)-SO
********************************************************************************
    17.0   3
* s-type functions
   13    1
    1330373.96000000
      99312.61410000
      12881.40050000
       2474.85916000
        214.73393400
        111.57970600
         37.08306530
         11.39610720
          7.09430236
          4.48517638
          1.57439587
       2763.39384e-4
       1089.28284e-4
 -0.000154245526
 -0.001030359550
 -0.005277690660
 -0.014123935000
  0.069168243600
  0.020375290400
 -0.259246240000
  0.055751370800
  0.649870007000
 -0.204733484000
 -0.924034607000
  0.896077868000
  0.371294340000
* p-type functions
   12    1
       6081.57825000
       1285.59298000
        377.42867500
         55.25518340
         23.37400220
         15.27629050
          8.38467359
          2.34820847
          1.19926577
       3895.21915e-4
       1703.52883e-4
          0.06806608
  0.000747301263
  0.009303572920
  0.026200734000
 -0.087130491100
 -0.044778033900
  0.108760931000
  0.167649821000
 -0.290968146000
 -0.237718794000
  0.362078050000
  0.572614107000
  0.251035839000
* d-type functions
    8    2
        782.38971100
        225.87271700
         82.13020110
         17.39029990
         10.41113290
          1.95037661
       6894.37556e-4
          0.22500000
  0.007925611400  0.000000000000
  0.048784880000  0.000000000000
  0.109616971000  0.000000000000
 -0.139020631000  0.000000000000
 -0.241043104000  0.000000000000
  0.646388176000  0.000000000000
  0.466309053000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
        115.10000000
         38.32000000
         15.16000000
          6.22900000
          2.42100000
  0.065462966000
  0.270117600000
  0.468471840000
  0.387073130000
  0.115421720000
********************************************************************************
* Core AIMP: ATQR-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  3.5508000000e6  4.5568000000e5  9.5967000000e4  2.5152000000e4  7.5981000000e3  2.3872000000e3  8.2358000000e2  3.3349000000e2  1.0661300000e2 48.886000000000 17.229000000000
  6.733600000000  2.961900000000  1.389000000000
  0.020055481765  0.027773634118  0.051763142941  0.088865252941  0.131482682353  0.181153047059  0.345657523529  0.274671800000  0.827768647059  0.155610823529  1.172975705882
  0.361928941176  0.337256194118  0.023037134118
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  7.1087074000e3  1.3013040000e3  3.2296671000e2 79.081765000000 15.686903000000
    1315800.00000000
     146900.00000000
      29370.00000000
       7958.00000000
       2607.00000000
        973.30000000
        332.00000000
        146.30000000
         55.06000000
         29.59000000
         12.08000000
          6.53100000
          2.53700000
          1.37100000
          0.65210000
  0.010422932000  0.004310210400  0.002081130800  0.001062063500  0.000492842350
  0.036671734000  0.015348535000  0.007497861400  0.003805245700  0.001769502400
  0.107395460000  0.047772758000  0.023290583000  0.011941316000  0.005542676700
  0.257943510000  0.119312640000  0.059496818000  0.030289193000  0.014107874000
  0.419324750000  0.231410600000  0.117051820000  0.060779832000  0.028267780000
  0.332038830000  0.167878310000  0.086840612000  0.043773855000  0.020486066000
  0.046201171000 -0.413116490000 -0.352349810000 -0.203009950000 -0.097817268000
 -0.035697891000 -0.647868840000 -0.670390070000 -0.429565750000 -0.211143360000
  0.012023170000 -0.132735580000  0.413687670000  0.466499600000  0.261493880000
  0.009055516700  0.043432665000  0.834101820000  1.025525200000  0.610532950000
  0.000919991330 -0.016454275000  0.134465540000 -0.578872310000 -0.542988230000
 -0.009488330700  0.004665305900 -0.028108455000 -0.887247220000 -1.053717800000
  0.002390287100 -0.003661661200  0.009250507400 -0.089153587000  0.642333470000
  0.001080707000  0.003681831400 -0.004036489000  0.017094744000  0.797052560000
  0.000429345890 -0.000441562930  0.001172414300 -0.002803194500  0.109213460000
   12    4
  1.1119840000e3  2.6829456000e2 60.822384000000 10.213583000000
      10359.00000000
       2419.00000000
        804.80000000
        318.50000000
        140.38000000
         62.47000000
         30.35000000
         13.68200000
          6.72100000
          2.89500000
          1.38970000
          0.60040000
  0.016186328000  0.008570410100  0.004425898300  0.001942056700
  0.086851676000  0.048176809000  0.024580881000  0.010899678000
  0.271828380000  0.155536020000  0.081700570000  0.036062727000
  0.453432770000  0.280778440000  0.146638570000  0.065555979000
  0.313143040000  0.066998251000  0.016793486000  0.004087630300
  0.048922625000 -0.525429900000 -0.447117420000 -0.219308610000
 -0.009267027000 -0.511370260000 -0.347636280000 -0.163949780000
  0.003635331300 -0.088547467000  0.562495470000  0.419963920000
  0.002879767400  0.008348065700  0.613123790000  0.454412480000
 -0.000224134280 -0.003024049300  0.086183607000 -0.491526270000
 -0.001417797600  0.000230646670 -0.006215980900 -0.656230110000
 -0.000203503910 -0.000488191630  0.001143934900 -0.130562710000
   10    2
  2.1247417000e2 39.576301000000
        773.60000000
        236.40000000
         92.74000000
         40.75000000
         18.01400000
          8.30500000
          3.77400000
          1.73520000
          0.76560000
          0.30500000
  0.038452264000  0.021205424000
  0.199236860000  0.110707950000
  0.445091920000  0.250955670000
  0.414795640000  0.127009260000
  0.113692170000 -0.400316100000
 -0.001189252800 -0.558155020000
  0.002194546600 -0.179550390000
 -0.000698875090 -0.005656912000
  0.000829247240 -0.001334779600
 -0.000063662525  0.000529381050
    5    1
 16.446209000000
        115.10000000
         38.32000000
         15.16000000
          6.22900000
          2.42100000
  0.065462966000
  0.270117600000
  0.468471840000
  0.387073130000
  0.115421720000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ATQR-4F
End of Spectral Representation Operator

********************************************************************************
*         C.1.1.8. Group 0 Elements (Noble Gases)
********************************************************************************

/Ne.CG-AIMP.Barandiaran.5s5p1d.1s1p1d.ECP.8el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
NEON (5s,5p,1d) -> [1s,1p,1d]
********************************************************************************
*relativistic  core[He] val[2s,2p]     (51/511/1*)=2s3p1d recommended
*NEQR-SP(5/5/1)
********************************************************************************
     8.0   2
* s-type functions
    5    1
        518.00894600
         77.67631050
         17.07323640
          1.38306185
       4261.69604e-4
 -0.013737581900
 -0.089416254800
 -0.250278243000
  0.635262190000
  0.463129340000
* p-type functions
    5    1
         55.31328590
         12.55203530
          3.71349903
          1.15268811
       3323.26107e-4
  0.016976429200
  0.106693845000
  0.320093765000
  0.485664917000
  0.334760648000
* d-type functions
    1    1
          1.88800000
  1.000000000000
********************************************************************************
* Core AIMP: NEQR-1S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  7
  2.4100125000e5  2.4676084000e4  4.1677650000e3  8.8372560000e2  2.2729355000e2 69.713581000000 24.104989000000
  0.005040354625  0.008350074250  0.017820525000  0.036244138750  0.068582497500  0.085050613750  0.028911793750
M2
  0
COREREP
 1.0
PROJOP
    0
    6    1
 65.637953000000
       1789.10000000
        325.30000000
         90.53000000
         30.76000000
         11.65000000
          4.34500000
  0.012440129000
  0.065258163000
  0.209455740000
  0.410922100000
  0.377847980000
  0.078020583000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NEQR-1S
End of Spectral Representation Operator

/Ar.CG-AIMP.Barandiaran.7s6p1d.1s1p1d.ECP.8el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
ARGON (7s,6p,1d) -> [1s,1p,1d]
********************************************************************************
*relativistic  core[Ne] val[3s,3p]     (71/611/1*)=2s3p1d recommended
*ARQR-SP(7/6/1)                (61/411/1)
********************************************************************************
     8.0   2
* s-type functions
    7    1
       1837.15998000
        271.33371000
         60.04478590
          5.74501581
          2.84338123
       5756.27931e-4
       2087.70133e-4
  0.004957322580
  0.033374946000
  0.099674893200
 -0.314040310000
 -0.284205823000
  0.731332793000
  0.456014906000
* p-type functions
    6    1
        108.94404100
         24.82298210
          7.12417911
       8535.76845e-4
       3224.97335e-4
       1209.37615e-4
 -0.016176178000
 -0.089737573800
 -0.190805283000
  0.435340817000
  0.498940065000
  0.197430014000
* d-type functions
    1    1
          0.61700000
  1.000000000000
********************************************************************************
* Core AIMP: ARQR-2P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  2.5086163000e5  2.8302027000e4  5.3915281000e3  1.3288217000e3  3.9109122000e2  1.2540021000e2 35.520174000000 13.286381000000  5.594054100000
  0.015891591250  0.024361962500  0.047431576250  0.087562073750  0.141890825000  0.158137887500  0.249806400000  0.403915775000  0.121001907500
M2
  0
COREREP
 1.0
PROJOP
    1
    8    2
  2.3829564000e2 24.826321000000
       4449.00000000
        794.30000000
        219.40000000
         74.93000000
         28.74000000
          8.43300000
          3.59700000
          1.46700000
  0.018558910000  0.005214661600
  0.094233983000  0.028968832000
  0.282811130000  0.091400339000
  0.454623260000  0.206189510000
  0.280462750000  0.162125550000
  0.026033594000 -0.408094890000
 -0.005650130600 -0.622595890000
  0.001158776600 -0.127236330000
    7    1
 19.158935000000
        384.00000000
         99.04000000
         34.82000000
         14.13900000
          6.17600000
          2.80100000
          1.18900000
  0.007489343900
  0.044908105000
  0.153253070000
  0.320615220000
  0.404185410000
  0.239412540000
  0.035509971000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ARQR-2P
End of Spectral Representation Operator

/Kr.CG-AIMP.Barandiaran.9s8p4d.1s1p2d.ECP.8el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
KRYPTON (9s,8p,4d) -> [1s,1p,2d]
********************************************************************************
*relativistic  core[Ar,3d] val[4s,4p]     (911/811/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*KRQR-SP(9/8/31)               (711/611/31)
********************************************************************************
     8.0   2
* s-type functions
    9    1
       9665.99493000
       1319.93840000
        279.22525200
         26.47989110
          9.98946140
          5.59241835
          2.46513314
       4506.55757e-4
       1711.18455e-4
 -0.002063221260
 -0.014329986400
 -0.046805681600
  0.207629365000
  0.134145214000
 -0.277537844000
 -0.531740366000
  0.784919491000
  0.431986875000
* p-type functions
    8    1
        633.65301200
        145.68278300
         44.49998510
          6.49477634
          3.00025658
       6633.16948e-4
       2706.03222e-4
       1039.42335e-4
  0.004958138620
  0.031128298700
  0.076254274000
 -0.170028788000
 -0.182798087000
  0.398637015000
  0.530232685000
  0.222363928000
* d-type functions
    4    2
         24.11300000
          6.24350000
          1.77726000
          0.44300000
  0.279706468000  0.000000000000
  0.602428936000  0.000000000000
  0.377007229000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: KRQR-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.4830000000e5  4.9750000000e4  1.1130000000e4  3.0590000000e3  9.6620000000e2  3.0720000000e2  1.0570000000e2 43.850000000000 12.030000000000  5.432000000000  2.247000000000
  0.036565238750  0.047023906250  0.087576053750  0.151566587500  0.217887587500  0.269775275000  0.547180162500  0.427924062500  0.814511125000  0.789925537500  0.110064475000
M2
  0
COREREP
 1.0
PROJOP
    2
   10    3
  1.0599862000e3  1.4425161000e2 22.455156000000
      24700.00000000
       4073.00000000
       1077.70000000
        358.40000000
        135.60000000
         39.97000000
         17.61000000
          6.65100000
          3.16400000
          1.37800000
  0.016652891000  0.005375473300  0.002180553900
  0.081987211000  0.028774366000  0.011607795000
  0.255331330000  0.093190525000  0.038414171000
  0.447187200000  0.221597810000  0.093538706000
  0.324665570000  0.198107500000  0.091025415000
  0.038690853000 -0.453560410000 -0.288229500000
 -0.014988098000 -0.622647970000 -0.567262870000
  0.006106359800 -0.101931430000  0.237548300000
 -0.002385920800  0.010573054000  0.823613680000
  0.001144914900 -0.002224272700  0.224213850000
    8    2
  1.2720381000e2 16.837340000000
       1033.60000000
        262.00000000
         91.11000000
         36.63000000
         15.96000000
          6.73200000
          2.93400000
          1.23000000
  0.019748781000  0.008064668900
  0.110443600000  0.047698659000
  0.319767440000  0.143479060000
  0.460084820000  0.227893230000
  0.248304800000  0.006370810900
  0.029579491000 -0.474390740000
 -0.000231922240 -0.515146720000
  0.000112855660 -0.118279160000
    6    1
  7.503047700000
         96.99000000
         29.32000000
         11.14000000
          4.55600000
          1.90100000
          0.73400000
  0.030499062000
  0.149528310000
  0.344117440000
  0.427045840000
  0.276354670000
  0.060240896000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
KRQR-3D
End of Spectral Representation Operator

/Xe.CG-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.18el.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 101 (1994) 4049-4054. doi:10.1063/1.467522
XENON (11s,10p,7d) -> [1s,1p,2d]
********************************************************************************
*relativistic  core[Kr] val[4d,5s,5p]   (11,11/10,11/611*)=3s3p3d recommended
*XEQR-DSP(A1/A0/61)
********************************************************************************
    18.0   2
* s-type functions
   11    1
      31721.12480000
       3815.09120000
        741.27201600
         65.82226740
         21.97402550
         13.90019540
          6.44822590
          3.58597840
          1.63323476
       3261.75953e-4
       1300.26914e-4
  0.001131447200
  0.007914122900
  0.027367880400
 -0.135825687000
 -0.106636001000
  0.343337954000
  0.330856624000
 -0.338107821000
 -0.729169245000
  0.843686521000
  0.426844235000
* p-type functions
   10    1
       1743.40341000
        393.50034500
        120.42793900
         17.55145580
          7.63736344
          4.16904798
          1.92246916
       4221.70801e-4
       1818.78395e-4
       7468.00292e-5
 -0.002620795670
 -0.017027399600
 -0.044884325400
  0.139472351000
  0.097504794300
 -0.198158900000
 -0.313392610000
  0.458756156000
  0.521606368000
  0.174890780000
* d-type functions
    7    2
        221.78440800
         63.73082050
         22.29548240
          3.61443725
          1.52793764
       6001.80774e-4
          0.29700000
 -0.021029664700  0.000000000000
 -0.115751074000  0.000000000000
 -0.231048560000  0.000000000000
  0.474685303000  0.000000000000
  0.496754164000  0.000000000000
  0.151845656000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: XEQR-4P
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.9760000000e5  6.3300000000e4  1.5310000000e4  4.4070000000e3  1.3920000000e3  4.3140000000e2  1.7230000000e2 49.460000000000 24.510000000000  5.576000000000  3.194000000000
  1.622000000000
  0.025634207222  0.030583045000  0.055440218889  0.091332461111  0.119230861111  0.196880466667  0.286438300000  0.249588861111  0.538169961111  0.221926277778  0.173806644444
  0.010968693333
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  2.5576048000e3  4.0554680000e2 86.119484000000 16.871643000000
      83690.00000000
      12160.00000000
       2967.00000000
        937.90000000
        344.30000000
        101.90000000
         45.53000000
         16.78000000
          8.85000000
          3.85600000
          1.97000000
          0.90110000
  0.016541078000  0.005825040800  0.002638410400  0.001204231400
  0.076445694000  0.029109319000  0.013132945000  0.005994904800
  0.240721630000  0.094259133000  0.043416414000  0.019887153000
  0.442394520000  0.226347950000  0.106747970000  0.049201121000
  0.353209780000  0.208814210000  0.106174150000  0.049679545000
  0.048160532000 -0.443785910000 -0.335833940000 -0.170807270000
 -0.025004474000 -0.631002680000 -0.637522130000 -0.352960040000
  0.012343115000 -0.116743900000  0.374539200000  0.295032510000
 -0.004934927500  0.031051076000  0.827877270000  0.955264140000
  0.005283692100 -0.011195039000  0.143353970000 -0.201502540000
 -0.004111906000  0.004456227300 -0.008473421500 -0.989269650000
  0.000285184280 -0.001350418300  0.001812918300 -0.231230120000
    9    3
  3.6374977000e2 72.245995000000 12.276918000000
       1779.00000000
        441.50000000
        151.20000000
         60.14000000
         23.15000000
         10.37000000
          4.22200000
          1.96400000
          0.84070000
  0.036847757000  0.018154879000  0.008049010200
  0.189839390000  0.094576297000  0.042651946000
  0.446392600000  0.250318620000  0.114187460000
  0.423430420000  0.183145790000  0.079516135000
  0.094131929000 -0.419720620000 -0.282555890000
 -0.011654304000 -0.612063710000 -0.416861650000
  0.004851528000 -0.122773870000  0.372204180000
 -0.001554264000  0.008708813500  0.682259130000
  0.000870385740 -0.002296201500  0.167651800000
    7    1
 51.574052000000
        197.80000000
         59.73000000
         22.56000000
          9.41700000
          3.75400000
          1.54000000
          0.58340000
  0.059942953000
  0.270836700000
  0.493760450000
  0.348375060000
  0.057509654000
 -0.002584099600
  0.000611045660
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
XEQR-4P
End of Spectral Representation Operator

/Rn.CG-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.18el.
Z. Barandiaran, L. Seijo. J. Chem. Phys. 101 (1994) 4049-4054. doi:10.1063/1.467522
RADON (13s,12p,8d,5f) -> [1s,1p,2d,1f]
********************************************************************************
*relativistic  core[Xe,4f] val[5d,6s,6p] SO-corr (13,11/12,111/711*/5o1)=3s4p3d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* - (5o) f orthogonality function is the 4f core orbital
*
*RNQR-DSP(A3/A2/71/5)-SO
********************************************************************************
    18.0   3
* s-type functions
   13    1
    1292474.80000000
      96293.95170000
      12281.32860000
       2461.76266000
        222.65379200
        117.69770500
         37.98229120
         15.93446490
          7.44228959
          5.83585786
          1.68931718
       3031.00543e-4
       1208.61558e-4
  0.000160013430
  0.001069744260
  0.005618341150
  0.013012664300
 -0.068016271900
 -0.021227166800
  0.263830173000
 -0.012234501400
 -0.867872313000
  0.336020073000
  0.982939842000
 -0.913488270000
 -0.367625707000
* p-type functions
   12    1
       6319.57042000
       1331.42178000
        389.90735300
         56.77806430
         25.54417360
         15.84363270
          9.19656091
          2.35106378
          1.22158254
       4118.87949e-4
       1785.15982e-4
        728.68752e-4
  0.000758085019
  0.009930089420
  0.028060156900
 -0.093901014100
 -0.035053808600
  0.087658222300
  0.190928591000
 -0.343107675000
 -0.212017801000
  0.423775724000
  0.559437406000
  0.208754346000
* d-type functions
    8    2
        808.74074800
        233.35294300
         84.86569000
         17.83356030
         10.75093420
          2.07271709
       7467.99558e-4
          0.24700000
  0.008093680630  0.000000000000
  0.050217816400  0.000000000000
  0.113324119000  0.000000000000
 -0.148344042000  0.000000000000
 -0.243919315000  0.000000000000
  0.655236744000  0.000000000000
  0.455133496000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
        120.41000000
         40.20000000
         15.98000000
          6.61300000
          2.59800000
  0.064397567000
  0.267498830000
  0.467303550000
  0.388097700000
  0.115449370000
********************************************************************************
* Core AIMP: RNQR-4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  3.6180000000e6  4.6228000000e5  9.7007000000e4  2.5352000000e4  7.6511000000e3  2.4092000000e3  8.3348000000e2  3.3259000000e2  1.0791300000e2 42.886000000000 17.529000000000
  6.508600000000  2.999900000000  1.377000000000
  0.019121812222  0.026579727222  0.049606378333  0.085080588889  0.124896333333  0.172593794444  0.331717344444  0.258533200000  0.801834666667  0.140762388889  1.115041500000
  0.339797405556  0.297553477778  0.014659131667
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  7.3087676000e3  1.3436436000e3  3.3507856000e2 82.944316000000 16.877457000000
    1377600.00000000
     152700.00000000
      30370.00000000
       8210.00000000
       2688.00000000
       1003.10000000
        342.70000000
        150.90000000
         56.77000000
         30.50000000
         12.35000000
          6.70700000
          2.57200000
          1.37100000
          0.63810000
  0.010697162000  0.004444092700  0.002148643500  0.001100060700  0.000515594230
  0.037346568000  0.015714632000  0.007688128900  0.003911528100  0.001840500300
  0.108508650000  0.048515936000  0.023684699000  0.012186671000  0.005710401100
  0.258530800000  0.120169120000  0.060023637000  0.030624103000  0.014440447000
  0.418486950000  0.231371230000  0.117106010000  0.061049922000  0.028641678000
  0.331799560000  0.165995420000  0.085700612000  0.043118054000  0.020511756000
  0.046194798000 -0.413721880000 -0.354114860000 -0.204455310000 -0.099919672000
 -0.036309979000 -0.647114280000 -0.668559390000 -0.430474960000 -0.213410970000
  0.012200042000 -0.132144170000  0.417570800000  0.476418510000  0.268982300000
  0.009626808800  0.043484281000  0.832712540000  1.021201200000  0.618918130000
  0.000477644890 -0.016459054000  0.132988820000 -0.603604840000 -0.585993780000
 -0.009561003800  0.004393031800 -0.029098509000 -0.870464970000 -1.042676500000
  0.002622297400 -0.003226667900  0.009334373400 -0.082886936000  0.741912860000
  0.001101131100  0.003486619700 -0.003972051200  0.016397986000  0.746606360000
  0.000345499370 -0.000440397080  0.001130848700 -0.002647383000  0.075751332000
   12    4
  1.1449211000e3  2.7790629000e2 63.859191000000 11.094217000000
      10623.00000000
       2477.00000000
        824.50000000
        326.60000000
        144.12000000
         64.38000000
         31.34000000
         14.20300000
          7.01000000
          3.05600000
          1.48130000
          0.64510000
  0.016436097000  0.008732325100  0.004524030400  0.002015503100
  0.087675887000  0.048735225000  0.024976367000  0.011237053000
  0.272782900000  0.156534530000  0.082516396000  0.036976853000
  0.453138860000  0.280683410000  0.147191560000  0.066763373000
  0.311932930000  0.065894327000  0.015770137000  0.003633697800
  0.048578267000 -0.524302550000 -0.448001420000 -0.223423710000
 -0.009345901100 -0.511202810000 -0.350369190000 -0.167869350000
  0.003662541000 -0.089543650000  0.559142830000  0.426055780000
  0.003065156800  0.008428628400  0.615676940000  0.467272100000
 -0.000254576650 -0.003052449900  0.088466356000 -0.492819150000
 -0.001484324900  0.000177252890 -0.006038161300 -0.662856240000
 -0.000213373560 -0.000493858420  0.001066679200 -0.128593670000
   10    2
  2.2035287000e2 41.919261000000
        808.20000000
        247.50000000
         97.22000000
         42.77000000
         18.98400000
          8.80600000
          4.04300000
          1.87320000
          0.83530000
          0.33460000
  0.037315065000  0.020691560000
  0.194153980000  0.108547260000
  0.439863720000  0.249662660000
  0.419657290000  0.135998530000
  0.119560160000 -0.387282890000
 -0.000802056430 -0.561963350000
  0.002265287400 -0.188813080000
 -0.000723033150 -0.007144988200
  0.000873957600 -0.001191879600
 -0.000067576172  0.000514973540
    5    1
 18.149115000000
        120.41000000
         40.20000000
         15.98000000
          6.61300000
          2.59800000
  0.064397567000
  0.267498830000
  0.467303550000
  0.388097700000
  0.115449370000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
RNQR-4F
End of Spectral Representation Operator

********************************************************************************
*    C.1.2. Transition Metal Elements
********************************************************************************

********************************************************************************
*         C.1.2.1. First Series Transition Metal Elements
********************************************************************************
*
* - d diffuse functions for  (3d,4s)n  configurations from
*   P.J. Hay. J. Chem. Phys. 66 (1977) 4377-4384. doi:10.1063/1.433731
*
********************************************************************************

/Sc.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.9el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
SCANDIUM (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*SCQR2D-PDS(9/51/51)
********************************************************************************
     9.0   2
* s-type functions
    9    1
       2585.35502000
        379.24007100
         83.92443370
          7.76326000
          3.07226158
          1.30511709
       4952.39167e-4
       7040.92325e-5
       2768.14925e-5
 -0.001341670230
 -0.009064773360
 -0.027532008900
  0.116332086000
  0.087821482100
 -0.193218361000
 -0.372310149000
  0.700937110000
  0.448154061000
* p-type functions
    6    2
        168.67547800
         38.66119230
         11.32213240
          1.29863135
       4347.32651e-4
          0.06700000
 -0.017352096500  0.000000000000
 -0.100944949000  0.000000000000
 -0.230109174000  0.000000000000
  0.610718585000  0.000000000000
  0.480928087000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         19.40826630
          5.14942471
          1.65956538
       5393.02448e-4
       1611.69796e-4
          0.05880000
  0.026526295100  0.000000000000
  0.136371766000  0.000000000000
  0.347326958000  0.000000000000
  0.486855529000  0.000000000000
  0.347066148000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: SCQR2D-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.6510000000e5  3.0510000000e4  5.9540000000e3  1.4730000000e3  4.3290000000e2  1.3366000000e2 38.630000000000 15.236000000000  3.157000000000  1.292700000000
  0.016886210000  0.025346717778  0.049354975556  0.091614961111  0.142723388889  0.153196433333  0.302799011111  0.348751044444  0.120372566667  0.082288023333
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  3.3384913000e2 38.539276000000  5.183224500000
       6134.00000000
       1086.50000000
        299.40000000
        102.58000000
         39.72000000
         11.17000000
          4.69700000
          1.57600000
          0.76270000
          0.33030000
  0.018909243000  0.005462627100  0.001940414000
  0.095192577000  0.030575311000  0.010768243000
  0.284833740000  0.094876080000  0.034205143000
  0.451571210000  0.215849880000  0.079257239000
  0.280554530000  0.158692240000  0.063647179000
  0.027231185000 -0.487238780000 -0.250154030000
 -0.008713752800 -0.600983530000 -0.492726780000
  0.004205526100 -0.079693134000  0.228419110000
 -0.002403974400  0.013923789000  0.756694940000
  0.000774882090 -0.003316505300  0.259403780000
    6    1
 31.389354000000
        388.00000000
         98.90000000
         34.27000000
         13.55000000
          5.73700000
          2.37500000
  0.013276469000
  0.077144190000
  0.241295810000
  0.426055620000
  0.359654500000
  0.080825288000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SCQR2D-3S
End of Spectral Representation Operator

/Ti.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.10el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
TITANIUM (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*TIQR3F-PDS(9/51/51)
********************************************************************************
    10.0   2
* s-type functions
    9    1
       2866.39157000
        419.27891800
         92.74846200
          8.66336980
          3.45908896
          1.46306287
       5588.77832e-4
       7828.33798e-5
       3025.15326e-5
 -0.001342063290
 -0.009074569810
 -0.027639455000
  0.117151695000
  0.083918874900
 -0.194231014000
 -0.357246998000
  0.684717752000
  0.460793422000
* p-type functions
    6    2
        190.31453200
         43.67077230
         12.85323600
          1.49173883
          0.49884322
          0.07300000
 -0.017385888400  0.000000000000
 -0.102125705000  0.000000000000
 -0.235093681000  0.000000000000
  0.614442231000  0.000000000000
  0.477426952000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         23.51654780
          6.33051398
          2.07036340
       6865.64691e-4
          0.20931527
          0.07200000
  0.026343393200  0.000000000000
  0.137421358000  0.000000000000
  0.352640246000  0.000000000000
  0.486705737000  0.000000000000
  0.331950076000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: TIQR3F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.6590000000e5  3.1760000000e4  6.3510000000e3  1.5953000000e3  4.7370000000e2  1.4751000000e2 43.100000000000 17.147000000000  3.561000000000  1.463900000000
  0.015863687000  0.023180023000  0.044827762000  0.082762486000  0.128275860000  0.137594620000  0.271557800000  0.313587050000  0.109200410000  0.073150294000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  3.6903946000e2 43.319895000000  5.811541800000
       6908.00000000
       1218.90000000
        335.10000000
        114.56000000
         44.26000000
         12.48000000
          5.28000000
          1.79100000
          0.86090000
          0.37140000
  0.018567774000  0.005418750400  0.001956537600
  0.093488432000  0.030302941000  0.010823446000
  0.281334090000  0.094507837000  0.034632122000
  0.451380950000  0.216628090000  0.080705233000
  0.285569290000  0.163246990000  0.066706506000
  0.028321321000 -0.485793510000 -0.256200260000
 -0.009238411000 -0.602352120000 -0.499801640000
  0.004368424600 -0.080741968000  0.241368470000
 -0.002425073600  0.013436823000  0.756195570000
  0.000796693160 -0.003236153700  0.253283210000
    6    1
 35.658615000000
        454.00000000
        115.90000000
         40.08000000
         15.79000000
          6.64800000
          2.73100000
  0.012199963000
  0.071836821000
  0.231613020000
  0.424397130000
  0.371255800000
  0.085547308000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TIQR3F-3S
End of Spectral Representation Operator

/V.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.11el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
VANADIUM (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*VQR4F-PDS(9/51/51)
********************************************************************************
    11.0   2
* s-type functions
    9    1
       3184.57628000
        464.09166200
        102.39099800
          9.63943460
          3.83208211
          1.67958206
       6339.37707e-4
       8512.39851e-5
       3237.45215e-5
 -0.001340847900
 -0.009095342890
 -0.027876220200
  0.117748543000
  0.084206900200
 -0.190897332000
 -0.349376036000
  0.678884318000
  0.461510346000
* p-type functions
    6    2
        213.39029200
         49.02008070
         14.50045240
          1.69970365
          0.56738328
          0.08000000
 -0.017518289800  0.000000000000
 -0.103742975000  0.000000000000
 -0.240238428000  0.000000000000
  0.617131506000  0.000000000000
  0.474778519000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         27.33309320
          7.42993054
          2.45086261
       8193.39806e-4
       2505.94182e-4
          0.08200000
  0.026785512000  0.000000000000
  0.140448331000  0.000000000000
  0.358061598000  0.000000000000
  0.484486769000  0.000000000000
  0.323507323000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: VQR4F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.6600000000e5  3.1380000000e4  6.2630000000e3  1.5820000000e3  4.7360000000e2  1.4720000000e2 44.360000000000 18.164000000000  3.706000000000  1.574200000000
  0.015054287273  0.022160489091  0.042743483636  0.078537792727  0.119274909091  0.126248154545  0.256862627273  0.268235109091  0.101464936364  0.060327303636
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  4.0601358000e2 48.335842000000  6.449901000000
       7671.00000000
       1348.60000000
        370.20000000
        126.48000000
         48.85000000
         13.89000000
          5.90600000
          2.02700000
          0.96710000
          0.41510000
  0.018454027000  0.005443362500  0.001989685700
  0.092815559000  0.030318243000  0.010954908000
  0.279665840000  0.094869970000  0.035201392000
  0.451028020000  0.217570560000  0.082048452000
  0.287954970000  0.166412680000  0.068973401000
  0.028934218000 -0.483402980000 -0.260298940000
 -0.009495220600 -0.604459490000 -0.505758300000
  0.004378001600 -0.082157734000  0.247380870000
 -0.002344484100  0.012878678000  0.757057390000
  0.000792395060 -0.003138751800  0.251025670000
    6    1
 40.149502000000
        478.00000000
        122.30000000
         42.57000000
         16.92000000
          7.19000000
          2.96100000
  0.013234249000
  0.076790971000
  0.241296090000
  0.428587080000
  0.358341750000
  0.077429925000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
VQR4F-3S
End of Spectral Representation Operator

/Cr.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.12el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
CHROMIUM (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*CRQR7S-PDS(9/51/51)
********************************************************************************
    12.0   2
* s-type functions
    9    1
       3464.10430000
        501.91404200
        111.07844200
         10.83730900
          4.78961997
          1.71068323
       6649.32232e-4
       8148.80306e-5
       3077.70823e-5
 -0.001257679460
 -0.008526342960
 -0.025870126100
  0.103684794000
  0.068620817500
 -0.181703051000
 -0.296269998000
  0.662275538000
  0.461888615000
* p-type functions
    6    2
        237.90908800
         54.69149070
         16.22787010
          1.89299855
          0.61373096
          0.07700000
 -0.017133469900  0.000000000000
 -0.102298165000  0.000000000000
 -0.239654612000  0.000000000000
  0.617622226000  0.000000000000
  0.478217852000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         27.60722190
          7.45992701
          2.42432023
       7763.97808e-4
          0.21752465
          0.09120000
  0.030421051600  0.000000000000
  0.155421546000  0.000000000000
  0.369541091000  0.000000000000
  0.471132822000  0.000000000000
  0.341200130000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: CRQR7S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.8910000000e5  3.5800000000e4  7.3550000000e3  1.8841000000e3  5.6480000000e2  1.7707000000e2 52.170000000000 20.954000000000  4.266000000000  1.747700000000
  0.013871258333  0.019728793333  0.037714960833  0.069241275000  0.107093016667  0.115199625000  0.229278491667  0.257636141667  0.093831241667  0.056405195000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  4.4436403000e2 53.130764000000  6.665384300000
       8453.00000000
       1480.20000000
        405.30000000
        138.21000000
         53.35000000
         15.25000000
          6.47800000
          2.17100000
          1.01590000
          0.42400000
  0.018436697000  0.005483935600  0.002016122000
  0.092629066000  0.030519992000  0.011010531000
  0.279615430000  0.095648084000  0.035685703000
  0.451633060000  0.219782490000  0.082782763000
  0.287907380000  0.166859300000  0.069983308000
  0.028501620000 -0.490467810000 -0.268975680000
 -0.009182336500 -0.602856510000 -0.501454540000
  0.004000456400 -0.077730295000  0.298965490000
 -0.002042852600  0.012788888000  0.736517740000
  0.000718057330 -0.003131563300  0.226271330000
    6    1
 44.411871000000
        543.70000000
        138.60000000
         48.02000000
         19.00000000
          8.03200000
          3.27400000
  0.012584607000
  0.074168576000
  0.238019690000
  0.430699340000
  0.362485690000
  0.076844387000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CRQR7S-3S
End of Spectral Representation Operator

/Mn.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.13el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
MANGANESE (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*MNQR6S-PDS(9/51/51)
********************************************************************************
    13.0   2
* s-type functions
    9    1
       3888.34098000
        560.74790700
        122.96968000
         11.57831240
          4.30234430
          2.13591980
          0.77690059
       9907.04871e-5
       3667.18071e-5
 -0.001284364690
 -0.008778240230
 -0.027227376900
  0.118426515000
  0.087174132800
 -0.194530562000
 -0.329596411000
  0.659226873000
  0.474241218000
* p-type functions
    6    2
        262.88552800
         60.45360130
         17.99949800
          2.13405706
       7083.93156e-4
          0.09200000
 -0.017355921900  0.000000000000
 -0.104242126000  0.000000000000
 -0.245194512000  0.000000000000
  0.619979807000  0.000000000000
  0.472888877000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         35.35664760
          9.73675350
          3.24712882
          1.09451716
       3345.12045e-4
          0.10540000
  0.027046199900  0.000000000000
  0.144064786000  0.000000000000
  0.364121860000  0.000000000000
  0.481246096000  0.000000000000
  0.315489974000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: MNQR6S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.9550000000e5  3.8890000000e4  8.2850000000e3  2.1639000000e3  6.5520000000e2  2.0865000000e2 60.810000000000 24.097000000000  5.046000000000  2.046200000000
  0.013072373077  0.017783690000  0.033693174615  0.061631776154  0.096631684615  0.105539869231  0.202792307692  0.250127407692  0.084562907692  0.057241736154
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  4.8534041000e2 59.087393000000  7.763669200000
       9646.00000000
       1680.60000000
        458.30000000
        155.48000000
         59.60000000
         16.97000000
          7.27400000
          2.53600000
          1.19580000
          0.50840000
  0.017626621000  0.005286936300  0.001967155600
  0.088741036000  0.029403879000  0.010804904000
  0.271441020000  0.093221621000  0.035202052000
  0.450901540000  0.217866180000  0.083588413000
  0.299669680000  0.176229690000  0.074349491000
  0.031375731000 -0.477265030000 -0.265197710000
 -0.010603792000 -0.609438360000 -0.514433710000
  0.004725968000 -0.085197096000  0.253975900000
 -0.002396259600  0.012270359000  0.757419630000
  0.000844485950 -0.003040571000  0.250013080000
    6    1
 49.803851000000
        594.70000000
        151.70000000
         52.65000000
         20.88000000
          8.84900000
          3.61200000
  0.012642810000
  0.074418527000
  0.238785140000
  0.431767190000
  0.360591390000
  0.075679155000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
MNQR6S-3S
End of Spectral Representation Operator

/Fe.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.14el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
IRON (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*FEQR5D-PDS(9/51/51)
********************************************************************************
    14.0   2
* s-type functions
    9    1
       4236.42440000
        610.71334400
        133.94926300
         12.60524000
          4.48471479
          2.36196333
       8526.56165e-4
          0.10809161
       3940.64313e-5
 -0.001286023250
 -0.008762431960
 -0.027223698600
  0.120499637000
  0.090782356400
 -0.203567269000
 -0.320026661000
  0.648055880000
  0.484075196000
* p-type functions
    6    2
        289.29932500
         66.57379870
         19.89051980
          2.37378808
       7871.15308e-4
          0.09800000
 -0.017396202700  0.000000000000
 -0.104980080000  0.000000000000
 -0.247995702000  0.000000000000
  0.621856565000  0.000000000000
  0.471173316000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         38.91054330
         10.75457590
          3.59224013
          1.20398778
          0.36189186
          0.11330000
  0.027944112700  0.000000000000
  0.148777183000  0.000000000000
  0.368973510000  0.000000000000
  0.477273944000  0.000000000000
  0.315144113000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: FEQR5D-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.1150000000e5  4.0180000000e4  8.4770000000e3  2.2083000000e3  6.6970000000e2  2.1236000000e2 63.200000000000 25.610000000000  5.293000000000  2.203500000000
  0.012417247857  0.017135861429  0.032513016429  0.059319070000  0.091416550000  0.098497857143  0.194940207143  0.221716564286  0.080036178571  0.049150301429
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  5.2778549000e2 64.913381000000  8.499074100000
      10441.00000000
       1812.40000000
        493.80000000
        167.73000000
         64.49000000
         18.51000000
          7.95500000
          2.78100000
          1.30620000
          0.55450000
  0.017859090000  0.005400804100  0.002027795200
  0.089633477000  0.029919856000  0.011074290000
  0.273014860000  0.094591599000  0.036056034000
  0.450483920000  0.219762210000  0.084983860000
  0.297694910000  0.175382900000  0.074913624000
  0.031115336000 -0.481032470000 -0.272224850000
 -0.010588815000 -0.607212900000 -0.515745310000
  0.004628206500 -0.084263726000  0.269544610000
 -0.002276168900  0.011956172000  0.754094400000
  0.000831756270 -0.002976155800  0.242333530000
    6    1
 55.053815000000
        651.40000000
        165.90000000
         57.52000000
         22.82000000
          9.67800000
          3.94000000
  0.012606840000
  0.074527636000
  0.239991920000
  0.433656310000
  0.358687810000
  0.073668485000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
FEQR5D-3S
End of Spectral Representation Operator

/Co.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.15el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
COBALT (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*COQR4F-PDS(9/51/51)
********************************************************************************
    15.0   2
* s-type functions
    9    1
       4662.38776000
        668.16533800
        146.00566300
         13.66420240
          4.79388342
          2.50966282
       9160.44132e-4
       1177.45223e-4
        423.03522e-4
 -0.001265326610
 -0.008659188470
 -0.027093851600
  0.121551831000
  0.084677462100
 -0.207726049000
 -0.305681616000
  0.631672264000
  0.500044031000
* p-type functions
    6    2
        317.50521300
         73.08149340
         21.88772620
          2.62329644
       8683.40919e-4
          0.10500000
 -0.017381053600  0.000000000000
 -0.105464711000  0.000000000000
 -0.250445705000  0.000000000000
  0.623231057000  0.000000000000
  0.469977426000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         43.11518320
         11.95000490
          3.99623043
          1.33529884
       3972.47355e-4
          0.12190000
  0.028263420900  0.000000000000
  0.151278973000  0.000000000000
  0.371988400000  0.000000000000
  0.475039045000  0.000000000000
  0.314778110000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: COQR4F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.0470000000e5  4.0480000000e4  8.7120000000e3  2.3025000000e3  7.0560000000e2  2.2463000000e2 67.630000000000 27.675000000000  5.699000000000  2.392000000000
  0.012140608000  0.016394419333  0.030922980667  0.056051978667  0.085542846667  0.091985160000  0.184184500000  0.203052533333  0.075426373333  0.044298593333
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  5.7203569000e2 70.977352000000  9.242564900000
      11461.00000000
       1980.80000000
        538.40000000
        182.58000000
         70.13000000
         20.20000000
          8.70200000
          3.05500000
          1.42910000
          0.60470000
  0.017752963000  0.005409204300  0.002044838100
  0.088965998000  0.029886580000  0.011131050000
  0.271549200000  0.094698089000  0.036346379000
  0.450317510000  0.220518750000  0.085835741000
  0.299888390000  0.177472160000  0.076390951000
  0.031613675000 -0.480813870000 -0.275738710000
 -0.010860742000 -0.607776680000 -0.517965230000
  0.004670067600 -0.084645666000  0.275978760000
 -0.002231272500  0.011711840000  0.753195160000
  0.000840394800 -0.002925979100  0.239557060000
    6    1
 60.522243000000
        663.70000000
        169.10000000
         58.83000000
         23.51000000
         10.06100000
          4.09700000
  0.014056112000
  0.081931729000
  0.255682340000
  0.439742590000
  0.338145350000
  0.062945635000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
COQR4F-3S
End of Spectral Representation Operator

/Ni.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.16el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
NICKEL (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*NIQR3F-PDS(9/51/51)
********************************************************************************
    16.0   2
* s-type functions
    9    1
       5089.64646000
        725.75110200
        158.29039500
         14.85257060
          5.35630309
          2.68841156
       9964.02768e-4
       1263.51512e-4
       4482.61888e-5
 -0.001251222060
 -0.008584101580
 -0.026916986800
  0.120534022000
  0.075991856800
 -0.200503005000
 -0.296500796000
  0.622597831000
  0.507154907000
* p-type functions
    6    2
        346.84203800
         79.85038550
         23.97131840
          2.88500165
       9532.55566e-4
          0.11100000
 -0.017381888700  0.000000000000
 -0.105940706000  0.000000000000
 -0.252577070000  0.000000000000
  0.624146166000  0.000000000000
  0.469267691000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         47.29872870
         13.15250580
          4.40653743
          1.46981906
       4338.97325e-4
          0.13160000
  0.028751524200  0.000000000000
  0.154065213000  0.000000000000
  0.374959912000  0.000000000000
  0.472780780000  0.000000000000
  0.313416264000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: NIQR3F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.9260000000e5  3.9440000000e4  8.5600000000e3  2.2860000000e3  7.0730000000e2  2.2370000000e2 68.930000000000 28.778000000000  5.863000000000  2.520300000000
  0.012053829000  0.016134722687  0.030379572937  0.054538496000  0.081489587500  0.087280894375  0.181034846250  0.177485178750  0.072601148125  0.037001724125
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  6.1811749300e2 77.301541000000 10.008073600000
      12122.00000000
       2094.00000000
        571.10000000
        194.60000000
         75.15000000
         21.95000000
          9.48000000
          3.36900000
          1.56700000
          0.66010000
  0.018345051800  0.005640847570  0.002143233200
  0.091072515400  0.030778994100  0.011533857300
  0.274504001000  0.096719525100  0.037340648300
  0.449296458000  0.222199383000  0.087088300000
  0.295778426000  0.175637040000  0.076168163100
  0.031005080900 -0.481907123000 -0.279432474000
 -0.010657766200 -0.606805971000 -0.519579529000
  0.004468724380 -0.085035888000  0.275592065000
 -0.002025673960  0.010912386400  0.754874779000
  0.000808132150 -0.002761866900  0.240899367000
    6    1
 66.229578500000
        679.20000000
        171.30000000
         59.02000000
         23.55000000
         10.11800000
          4.08900000
  0.015531575900
  0.091415978800
  0.279308841000
  0.450031079000
  0.307585419000
  0.048110009900
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NIQR3F-3S
End of Spectral Representation Operator

/Cu.CG-AIMP.Barandiaran.9s6p6d.1s2p2d.ECP.17el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
COPPER (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*CUQR2D-PDS(9/51/51)
********************************************************************************
    17.0   2
* s-type functions
    9    1
       5598.91811000
        793.28464400
        171.85637600
         16.07561560
          6.07091922
          2.80024364
          1.06758732
       1351.74153e-4
        473.12243e-4
 -0.001217401450
 -0.008390754400
 -0.026688377000
  0.119201054000
  0.063549793500
 -0.194161943000
 -0.283069051000
  0.614554650000
  0.513974399000
* p-type functions
    6    2
        378.12173300
         87.02380010
         26.16746250
          3.15565305
          1.04067815
          0.11700000
 -0.017350472300  0.000000000000
 -0.106292353000  0.000000000000
 -0.254641590000  0.000000000000
  0.625414392000  0.000000000000
  0.468107219000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         51.71110310
         14.42072630
          4.83967214
          1.61235383
       4728.07013e-4
          0.14910000
  0.029145344300  0.000000000000
  0.156403076000  0.000000000000
  0.377371881000  0.000000000000
  0.470868649000  0.000000000000
  0.312311302000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: CUQR2D-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.2380000000e5  4.4740000000e4  9.8080000000e3  2.6330000000e3  8.1818000000e2  2.6333000000e2 79.873000000000 32.840000000000  6.769000000000  2.835600000000
  0.011146177176  0.014665895647  0.027598040118  0.049444577471  0.075036350000  0.080879497059  0.162068670000  0.179380022941  0.066921942353  0.038741179353
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  6.6604058000e2 83.889799000000 10.797065000000
      11610.00000000
       2000.00000000
        545.00000000
        187.00000000
         73.80000000
         24.80000000
         10.80000000
          4.09000000
          1.85000000
          0.75800000
  0.021159811100  0.006667480810  0.002520607860
  0.104425120000  0.035166788000  0.013366905600
  0.303035115000  0.111144680000  0.042841611100
  0.453606821000  0.231215606000  0.092545449800
  0.252107333000  0.157300758000  0.067922571300
  0.022217305400 -0.451645276000 -0.255761306000
 -0.005764274330 -0.625003977000 -0.537052718000
  0.001719350540 -0.104174592000  0.182524464000
 -0.000362498690  0.008919546820  0.791626343000
  0.000420531120 -0.002536580230  0.285891103000
    6    1
 72.178031000000
        436.34730100
        110.64011900
         15.30121290
         38.25366400
          6.39840000
          1.79700000
  0.035709613100
  0.181589793000
  0.424308308000
  0.423681944000
  0.121735805000
  0.003944179570
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CUQR2D-3S
End of Spectral Representation Operator

/Zn.CG-AIMP.Barandiaran.9s6p5d.1s2p1d.ECP.18el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
ZINC (9s,6p,5d) -> [1s,2p,1d]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/511)=3s3p3d recomended
*ZNQR1S-PDS(9/51/5)
********************************************************************************
    18.0   2
* s-type functions
    9    1
       6050.71748000
        857.21248200
        185.30817300
         17.28532200
          6.11606493
          3.11298368
          1.16011639
          0.14278049
       4940.96517e-5
 -0.001213900720
 -0.008310687100
 -0.026614474800
  0.119944774000
  0.069731266400
 -0.198648420000
 -0.278865559000
  0.611116681000
  0.515035926000
* p-type functions
    6    2
        410.49441700
         94.47335590
         28.45851260
          3.43942986
          1.13180243
          0.12300000
 -0.017306352200  0.000000000000
 -0.106437158000  0.000000000000
 -0.255990172000  0.000000000000
  0.626069722000  0.000000000000
  0.467724226000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    5    1
         56.35081000
         15.75820370
          5.29778926
          1.76437521
       5152.59102e-4
  0.029472203800
  0.158352767000
  0.379449222000
  0.469330215000
  0.310770822000
********************************************************************************
* Core AIMP: ZNQR1S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.1550000000e5  4.5000000000e4  1.0055000000e4  2.7332000000e3  8.5690000000e2  2.7661000000e2 84.770000000000 35.108000000000  7.217000000000  3.042600000000
  0.010992848889  0.014133644444  0.026499588889  0.047223192778  0.071017400000  0.076433238889  0.154968244444  0.166289927778  0.063651455556  0.035457126667
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  7.1580026000e2 90.729887000000 11.600278000000
      14966.00000000
       2550.00000000
        687.60000000
        231.89000000
         88.74000000
         25.76000000
         11.15700000
          3.95000000
          1.82850000
          0.76670000
  0.017441759000  0.005422947500  0.002080983500
  0.086978106000  0.029729712000  0.011232164000
  0.267142980000  0.094754980000  0.036924359000
  0.449782410000  0.222274460000  0.087820350000
  0.306623870000  0.183226240000  0.080138732000
  0.033112161000 -0.479610090000 -0.283715130000
 -0.011704815000 -0.609714570000 -0.522246730000
  0.004811776000 -0.085841425000  0.290407310000
 -0.002109298400  0.011277626000  0.750266980000
  0.000875700850 -0.002829144300  0.233852670000
    6    1
 78.353761000000
        809.70000000
        206.50000000
         72.13000000
         28.99000000
         12.45300000
          5.01500000
  0.014982033000
  0.086414054000
  0.265668250000
  0.445144120000
  0.324028620000
  0.054824181000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ZNQR1S-3S
End of Spectral Representation Operator

********************************************************************************
*
* - d-diffuse functions for  (3d,4s)n  configurations from
*   P.J. Hay. J. Chem. Phys. 66 (1977) 4377-4384. doi:10.1063/1.433731
* - f-pol (1-STO) via maximum overlap with d radial function; then 1STO->3GTO
*
********************************************************************************

/Sc.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.9el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
SCANDIUM (9s,6p,6d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*SCQR2D-PDS(9/51/51)
********************************************************************************
     9.0   3
* s-type functions
    9    1
       2585.35502000
        379.24007100
         83.92443370
          7.76326000
          3.07226158
          1.30511709
       4952.39167e-4
       7040.92325e-5
       2768.14925e-5
 -0.001341670230
 -0.009064773360
 -0.027532008900
  0.116332086000
  0.087821482100
 -0.193218361000
 -0.372310149000
  0.700937110000
  0.448154061000
* p-type functions
    6    2
        168.67547800
         38.66119230
         11.32213240
          1.29863135
       4347.32651e-4
          0.06700000
 -0.017352096500  0.000000000000
 -0.100944949000  0.000000000000
 -0.230109174000  0.000000000000
  0.610718585000  0.000000000000
  0.480928087000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         19.40826630
          5.14942471
          1.65956538
       5393.02448e-4
       1611.69796e-4
          0.05880000
  0.026526295100  0.000000000000
  0.136371766000  0.000000000000
  0.347326958000  0.000000000000
  0.486855529000  0.000000000000
  0.347066148000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          0.89185970
          0.31984140
          0.13695990
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: SCQR2D-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.6510000000e5  3.0510000000e4  5.9540000000e3  1.4730000000e3  4.3290000000e2  1.3366000000e2 38.630000000000 15.236000000000  3.157000000000  1.292700000000
  0.016886210000  0.025346717778  0.049354975556  0.091614961111  0.142723388889  0.153196433333  0.302799011111  0.348751044444  0.120372566667  0.082288023333
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  3.3384913000e2 38.539276000000  5.183224500000
       6134.00000000
       1086.50000000
        299.40000000
        102.58000000
         39.72000000
         11.17000000
          4.69700000
          1.57600000
          0.76270000
          0.33030000
  0.018909243000  0.005462627100  0.001940414000
  0.095192577000  0.030575311000  0.010768243000
  0.284833740000  0.094876080000  0.034205143000
  0.451571210000  0.215849880000  0.079257239000
  0.280554530000  0.158692240000  0.063647179000
  0.027231185000 -0.487238780000 -0.250154030000
 -0.008713752800 -0.600983530000 -0.492726780000
  0.004205526100 -0.079693134000  0.228419110000
 -0.002403974400  0.013923789000  0.756694940000
  0.000774882090 -0.003316505300  0.259403780000
    6    1
 31.389354000000
        388.00000000
         98.90000000
         34.27000000
         13.55000000
          5.73700000
          2.37500000
  0.013276469000
  0.077144190000
  0.241295810000
  0.426055620000
  0.359654500000
  0.080825288000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SCQR2D-3S
End of Spectral Representation Operator

/Ti.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.10el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
TITANIUM (9s,6p,6d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*TIQR3F-PDS(9/51/51)
********************************************************************************
    10.0   3
* s-type functions
    9    1
       2866.39157000
        419.27891800
         92.74846200
          8.66336980
          3.45908896
          1.46306287
       5588.77832e-4
       7828.33798e-5
       3025.15326e-5
 -0.001342063290
 -0.009074569810
 -0.027639455000
  0.117151695000
  0.083918874900
 -0.194231014000
 -0.357246998000
  0.684717752000
  0.460793422000
* p-type functions
    6    2
        190.31453200
         43.67077230
         12.85323600
          1.49173883
          0.49884322
          0.07300000
 -0.017385888400  0.000000000000
 -0.102125705000  0.000000000000
 -0.235093681000  0.000000000000
  0.614442231000  0.000000000000
  0.477426952000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         23.51654780
          6.33051398
          2.07036340
       6865.64691e-4
          0.20931527
          0.07200000
  0.026343393200  0.000000000000
  0.137421358000  0.000000000000
  0.352640246000  0.000000000000
  0.486705737000  0.000000000000
  0.331950076000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          1.39353080
          0.49975220
          0.21399980
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: TIQR3F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.6590000000e5  3.1760000000e4  6.3510000000e3  1.5953000000e3  4.7370000000e2  1.4751000000e2 43.100000000000 17.147000000000  3.561000000000  1.463900000000
  0.015863687000  0.023180023000  0.044827762000  0.082762486000  0.128275860000  0.137594620000  0.271557800000  0.313587050000  0.109200410000  0.073150294000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  3.6903946000e2 43.319895000000  5.811541800000
       6908.00000000
       1218.90000000
        335.10000000
        114.56000000
         44.26000000
         12.48000000
          5.28000000
          1.79100000
          0.86090000
          0.37140000
  0.018567774000  0.005418750400  0.001956537600
  0.093488432000  0.030302941000  0.010823446000
  0.281334090000  0.094507837000  0.034632122000
  0.451380950000  0.216628090000  0.080705233000
  0.285569290000  0.163246990000  0.066706506000
  0.028321321000 -0.485793510000 -0.256200260000
 -0.009238411000 -0.602352120000 -0.499801640000
  0.004368424600 -0.080741968000  0.241368470000
 -0.002425073600  0.013436823000  0.756195570000
  0.000796693160 -0.003236153700  0.253283210000
    6    1
 35.658615000000
        454.00000000
        115.90000000
         40.08000000
         15.79000000
          6.64800000
          2.73100000
  0.012199963000
  0.071836821000
  0.231613020000
  0.424397130000
  0.371255800000
  0.085547308000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TIQR3F-3S
End of Spectral Representation Operator

/V.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.11el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
VANADIUM (9s,6p,6d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*VQR4F-PDS(9/51/51)
********************************************************************************
    11.0   3
* s-type functions
    9    1
       3184.57628000
        464.09166200
        102.39099800
          9.63943460
          3.83208211
          1.67958206
       6339.37707e-4
       8512.39851e-5
       3237.45215e-5
 -0.001340847900
 -0.009095342890
 -0.027876220200
  0.117748543000
  0.084206900200
 -0.190897332000
 -0.349376036000
  0.678884318000
  0.461510346000
* p-type functions
    6    2
        213.39029200
         49.02008070
         14.50045240
          1.69970365
          0.56738328
          0.08000000
 -0.017518289800  0.000000000000
 -0.103742975000  0.000000000000
 -0.240238428000  0.000000000000
  0.617131506000  0.000000000000
  0.474778519000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         27.33309320
          7.42993054
          2.45086261
       8193.39806e-4
       2505.94182e-4
          0.08200000
  0.026785512000  0.000000000000
  0.140448331000  0.000000000000
  0.358061598000  0.000000000000
  0.484486769000  0.000000000000
  0.323507323000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          2.00668430
          0.71964320
          0.30815980
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: VQR4F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.6600000000e5  3.1380000000e4  6.2630000000e3  1.5820000000e3  4.7360000000e2  1.4720000000e2 44.360000000000 18.164000000000  3.706000000000  1.574200000000
  0.015054287273  0.022160489091  0.042743483636  0.078537792727  0.119274909091  0.126248154545  0.256862627273  0.268235109091  0.101464936364  0.060327303636
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  4.0601358000e2 48.335842000000  6.449901000000
       7671.00000000
       1348.60000000
        370.20000000
        126.48000000
         48.85000000
         13.89000000
          5.90600000
          2.02700000
          0.96710000
          0.41510000
  0.018454027000  0.005443362500  0.001989685700
  0.092815559000  0.030318243000  0.010954908000
  0.279665840000  0.094869970000  0.035201392000
  0.451028020000  0.217570560000  0.082048452000
  0.287954970000  0.166412680000  0.068973401000
  0.028934218000 -0.483402980000 -0.260298940000
 -0.009495220600 -0.604459490000 -0.505758300000
  0.004378001600 -0.082157734000  0.247380870000
 -0.002344484100  0.012878678000  0.757057390000
  0.000792395060 -0.003138751800  0.251025670000
    6    1
 40.149502000000
        478.00000000
        122.30000000
         42.57000000
         16.92000000
          7.19000000
          2.96100000
  0.013234249000
  0.076790971000
  0.241296090000
  0.428587080000
  0.358341750000
  0.077429925000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
VQR4F-3S
End of Spectral Representation Operator

/Cr.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.12el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
CHROMIUM (9s,6p,6d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*CRQR7S-PDS(9/51/51)
********************************************************************************
    12.0   3
* s-type functions
    9    1
       3464.10430000
        501.91404200
        111.07844200
         10.83730900
          4.78961997
          1.71068323
       6649.32232e-4
       8148.80306e-5
       3077.70823e-5
 -0.001257679460
 -0.008526342960
 -0.025870126100
  0.103684794000
  0.068620817500
 -0.181703051000
 -0.296269998000
  0.662275538000
  0.461888615000
* p-type functions
    6    2
        237.90908800
         54.69149070
         16.22787010
          1.89299855
          0.61373096
          0.07700000
 -0.017133469900  0.000000000000
 -0.102298165000  0.000000000000
 -0.239654612000  0.000000000000
  0.617622226000  0.000000000000
  0.478217852000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         27.60722190
          7.45992701
          2.42432023
       7763.97808e-4
          0.21752465
          0.09120000
  0.030421051600  0.000000000000
  0.155421546000  0.000000000000
  0.369541091000  0.000000000000
  0.471132822000  0.000000000000
  0.341200130000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          2.73132030
          0.97951430
          0.41943970
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: CRQR7S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.8910000000e5  3.5800000000e4  7.3550000000e3  1.8841000000e3  5.6480000000e2  1.7707000000e2 52.170000000000 20.954000000000  4.266000000000  1.747700000000
  0.013871258333  0.019728793333  0.037714960833  0.069241275000  0.107093016667  0.115199625000  0.229278491667  0.257636141667  0.093831241667  0.056405195000
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  4.4436403000e2 53.130764000000  6.665384300000
       8453.00000000
       1480.20000000
        405.30000000
        138.21000000
         53.35000000
         15.25000000
          6.47800000
          2.17100000
          1.01590000
          0.42400000
  0.018436697000  0.005483935600  0.002016122000
  0.092629066000  0.030519992000  0.011010531000
  0.279615430000  0.095648084000  0.035685703000
  0.451633060000  0.219782490000  0.082782763000
  0.287907380000  0.166859300000  0.069983308000
  0.028501620000 -0.490467810000 -0.268975680000
 -0.009182336500 -0.602856510000 -0.501454540000
  0.004000456400 -0.077730295000  0.298965490000
 -0.002042852600  0.012788888000  0.736517740000
  0.000718057330 -0.003131563300  0.226271330000
    6    1
 44.411871000000
        543.70000000
        138.60000000
         48.02000000
         19.00000000
          8.03200000
          3.27400000
  0.012584607000
  0.074168576000
  0.238019690000
  0.430699340000
  0.362485690000
  0.076844387000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CRQR7S-3S
End of Spectral Representation Operator

/Mn.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.13el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
MANGANESE (9s,6p,6d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*MNQR6S-PDS(9/51/51)
********************************************************************************
    13.0   3
* s-type functions
    9    1
       3888.34098000
        560.74790700
        122.96968000
         11.57831240
          4.30234430
          2.13591980
          0.77690059
       9907.04871e-5
       3667.18071e-5
 -0.001284364690
 -0.008778240230
 -0.027227376900
  0.118426515000
  0.087174132800
 -0.194530562000
 -0.329596411000
  0.659226873000
  0.474241218000
* p-type functions
    6    2
        262.88552800
         60.45360130
         17.99949800
          2.13405706
       7083.93156e-4
          0.09200000
 -0.017355921900  0.000000000000
 -0.104242126000  0.000000000000
 -0.245194512000  0.000000000000
  0.619979807000  0.000000000000
  0.472888877000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         35.35664760
          9.73675350
          3.24712882
          1.09451716
       3345.12045e-4
          0.10540000
  0.027046199900  0.000000000000
  0.144064786000  0.000000000000
  0.364121860000  0.000000000000
  0.481246096000  0.000000000000
  0.315489974000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          3.56743880
          1.27936570
          0.54783960
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: MNQR6S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.9550000000e5  3.8890000000e4  8.2850000000e3  2.1639000000e3  6.5520000000e2  2.0865000000e2 60.810000000000 24.097000000000  5.046000000000  2.046200000000
  0.013072373077  0.017783690000  0.033693174615  0.061631776154  0.096631684615  0.105539869231  0.202792307692  0.250127407692  0.084562907692  0.057241736154
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  4.8534041000e2 59.087393000000  7.763669200000
       9646.00000000
       1680.60000000
        458.30000000
        155.48000000
         59.60000000
         16.97000000
          7.27400000
          2.53600000
          1.19580000
          0.50840000
  0.017626621000  0.005286936300  0.001967155600
  0.088741036000  0.029403879000  0.010804904000
  0.271441020000  0.093221621000  0.035202052000
  0.450901540000  0.217866180000  0.083588413000
  0.299669680000  0.176229690000  0.074349491000
  0.031375731000 -0.477265030000 -0.265197710000
 -0.010603792000 -0.609438360000 -0.514433710000
  0.004725968000 -0.085197096000  0.253975900000
 -0.002396259600  0.012270359000  0.757419630000
  0.000844485950 -0.003040571000  0.250013080000
    6    1
 49.803851000000
        594.70000000
        151.70000000
         52.65000000
         20.88000000
          8.84900000
          3.61200000
  0.012642810000
  0.074418527000
  0.238785140000
  0.431767190000
  0.360591390000
  0.075679155000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
MNQR6S-3S
End of Spectral Representation Operator

/Fe.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.14el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
IRON (9s,6p,6d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*FEQR5D-PDS(9/51/51)
********************************************************************************
    14.0   3
* s-type functions
    9    1
       4236.42440000
        610.71334400
        133.94926300
         12.60524000
          4.48471479
          2.36196333
       8526.56165e-4
          0.10809161
       3940.64313e-5
 -0.001286023250
 -0.008762431960
 -0.027223698600
  0.120499637000
  0.090782356400
 -0.203567269000
 -0.320026661000
  0.648055880000
  0.484075196000
* p-type functions
    6    2
        289.29932500
         66.57379870
         19.89051980
          2.37378808
       7871.15308e-4
          0.09800000
 -0.017396202700  0.000000000000
 -0.104980080000  0.000000000000
 -0.247995702000  0.000000000000
  0.621856565000  0.000000000000
  0.471173316000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         38.91054330
         10.75457590
          3.59224013
          1.20398778
          0.36189186
          0.11330000
  0.027944112700  0.000000000000
  0.148777183000  0.000000000000
  0.368973510000  0.000000000000
  0.477273944000  0.000000000000
  0.315144113000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          4.51503970
          1.61919720
          0.69335950
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: FEQR5D-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.1150000000e5  4.0180000000e4  8.4770000000e3  2.2083000000e3  6.6970000000e2  2.1236000000e2 63.200000000000 25.610000000000  5.293000000000  2.203500000000
  0.012417247857  0.017135861429  0.032513016429  0.059319070000  0.091416550000  0.098497857143  0.194940207143  0.221716564286  0.080036178571  0.049150301429
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  5.2778549000e2 64.913381000000  8.499074100000
      10441.00000000
       1812.40000000
        493.80000000
        167.73000000
         64.49000000
         18.51000000
          7.95500000
          2.78100000
          1.30620000
          0.55450000
  0.017859090000  0.005400804100  0.002027795200
  0.089633477000  0.029919856000  0.011074290000
  0.273014860000  0.094591599000  0.036056034000
  0.450483920000  0.219762210000  0.084983860000
  0.297694910000  0.175382900000  0.074913624000
  0.031115336000 -0.481032470000 -0.272224850000
 -0.010588815000 -0.607212900000 -0.515745310000
  0.004628206500 -0.084263726000  0.269544610000
 -0.002276168900  0.011956172000  0.754094400000
  0.000831756270 -0.002976155800  0.242333530000
    6    1
 55.053815000000
        651.40000000
        165.90000000
         57.52000000
         22.82000000
          9.67800000
          3.94000000
  0.012606840000
  0.074527636000
  0.239991920000
  0.433656310000
  0.358687810000
  0.073668485000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
FEQR5D-3S
End of Spectral Representation Operator

/Co.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.15el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
COBALT (9s,6p,6d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*COQR4F-PDS(9/51/51)
********************************************************************************
    15.0   3
* s-type functions
    9    1
       4662.38776000
        668.16533800
        146.00566300
         13.66420240
          4.79388342
          2.50966282
       9160.44132e-4
       1177.45223e-4
        423.03522e-4
 -0.001265326610
 -0.008659188470
 -0.027093851600
  0.121551831000
  0.084677462100
 -0.207726049000
 -0.305681616000
  0.631672264000
  0.500044031000
* p-type functions
    6    2
        317.50521300
         73.08149340
         21.88772620
          2.62329644
       8683.40919e-4
          0.10500000
 -0.017381053600  0.000000000000
 -0.105464711000  0.000000000000
 -0.250445705000  0.000000000000
  0.623231057000  0.000000000000
  0.469977426000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         43.11518320
         11.95000490
          3.99623043
          1.33529884
       3972.47355e-4
          0.12190000
  0.028263420900  0.000000000000
  0.151278973000  0.000000000000
  0.371988400000  0.000000000000
  0.475039045000  0.000000000000
  0.314778110000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          5.57412310
          1.99900890
          0.85599930
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: COQR4F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.0470000000e5  4.0480000000e4  8.7120000000e3  2.3025000000e3  7.0560000000e2  2.2463000000e2 67.630000000000 27.675000000000  5.699000000000  2.392000000000
  0.012140608000  0.016394419333  0.030922980667  0.056051978667  0.085542846667  0.091985160000  0.184184500000  0.203052533333  0.075426373333  0.044298593333
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  5.7203569000e2 70.977352000000  9.242564900000
      11461.00000000
       1980.80000000
        538.40000000
        182.58000000
         70.13000000
         20.20000000
          8.70200000
          3.05500000
          1.42910000
          0.60470000
  0.017752963000  0.005409204300  0.002044838100
  0.088965998000  0.029886580000  0.011131050000
  0.271549200000  0.094698089000  0.036346379000
  0.450317510000  0.220518750000  0.085835741000
  0.299888390000  0.177472160000  0.076390951000
  0.031613675000 -0.480813870000 -0.275738710000
 -0.010860742000 -0.607776680000 -0.517965230000
  0.004670067600 -0.084645666000  0.275978760000
 -0.002231272500  0.011711840000  0.753195160000
  0.000840394800 -0.002925979100  0.239557060000
    6    1
 60.522243000000
        663.70000000
        169.10000000
         58.83000000
         23.51000000
         10.06100000
          4.09700000
  0.014056112000
  0.081931729000
  0.255682340000
  0.439742590000
  0.338145350000
  0.062945635000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
COQR4F-3S
End of Spectral Representation Operator

/Ni.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.16el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
NICKEL (9s,6p,6d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*NIQR3F-PDS(9/51/51)
********************************************************************************
    16.0   3
* s-type functions
    9    1
       5089.64646000
        725.75110200
        158.29039500
         14.85257060
          5.35630309
          2.68841156
       9964.02768e-4
       1263.51512e-4
       4482.61888e-5
 -0.001251222060
 -0.008584101580
 -0.026916986800
  0.120534022000
  0.075991856800
 -0.200503005000
 -0.296500796000
  0.622597831000
  0.507154907000
* p-type functions
    6    2
        346.84203800
         79.85038550
         23.97131840
          2.88500165
       9532.55566e-4
          0.11100000
 -0.017381888700  0.000000000000
 -0.105940706000  0.000000000000
 -0.252577070000  0.000000000000
  0.624146166000  0.000000000000
  0.469267691000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         47.29872870
         13.15250580
          4.40653743
          1.46981906
       4338.97325e-4
          0.13160000
  0.028751524200  0.000000000000
  0.154065213000  0.000000000000
  0.374959912000  0.000000000000
  0.472780780000  0.000000000000
  0.313416264000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          6.74468900
          2.41880070
          1.03575920
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: NIQR3F-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.9260000000e5  3.9440000000e4  8.5600000000e3  2.2860000000e3  7.0730000000e2  2.2370000000e2 68.930000000000 28.778000000000  5.863000000000  2.520300000000
  0.012053829000  0.016134722687  0.030379572937  0.054538496000  0.081489587500  0.087280894375  0.181034846250  0.177485178750  0.072601148125  0.037001724125
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  6.1811749300e2 77.301541000000 10.008073600000
      12122.00000000
       2094.00000000
        571.10000000
        194.60000000
         75.15000000
         21.95000000
          9.48000000
          3.36900000
          1.56700000
          0.66010000
  0.018345051800  0.005640847570  0.002143233200
  0.091072515400  0.030778994100  0.011533857300
  0.274504001000  0.096719525100  0.037340648300
  0.449296458000  0.222199383000  0.087088300000
  0.295778426000  0.175637040000  0.076168163100
  0.031005080900 -0.481907123000 -0.279432474000
 -0.010657766200 -0.606805971000 -0.519579529000
  0.004468724380 -0.085035888000  0.275592065000
 -0.002025673960  0.010912386400  0.754874779000
  0.000808132150 -0.002761866900  0.240899367000
    6    1
 66.229578500000
        679.20000000
        171.30000000
         59.02000000
         23.55000000
         10.11800000
          4.08900000
  0.015531575900
  0.091415978800
  0.279308841000
  0.450031079000
  0.307585419000
  0.048110009900
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NIQR3F-3S
End of Spectral Representation Operator

/Cu.CG-AIMP.Barandiaran.9s6p6d3f.1s2p2d1f.ECP.17el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
COPPER (9s,6p,6d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/5111d)=3s3p4d recomended
*CUQR2D-PDS(9/51/51)
********************************************************************************
    17.0   3
* s-type functions
    9    1
       5598.91811000
        793.28464400
        171.85637600
         16.07561560
          6.07091922
          2.80024364
          1.06758732
       1351.74153e-4
        473.12243e-4
 -0.001217401450
 -0.008390754400
 -0.026688377000
  0.119201054000
  0.063549793500
 -0.194161943000
 -0.283069051000
  0.614554650000
  0.513974399000
* p-type functions
    6    2
        378.12173300
         87.02380010
         26.16746250
          3.15565305
          1.04067815
          0.11700000
 -0.017350472300  0.000000000000
 -0.106292353000  0.000000000000
 -0.254641590000  0.000000000000
  0.625414392000  0.000000000000
  0.468107219000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         51.71110310
         14.42072630
          4.83967214
          1.61235383
       4728.07013e-4
          0.14910000
  0.029145344300  0.000000000000
  0.156403076000  0.000000000000
  0.377371881000  0.000000000000
  0.470868649000  0.000000000000
  0.312311302000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          8.02673730
          2.87857280
          1.23263090
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: CUQR2D-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.2380000000e5  4.4740000000e4  9.8080000000e3  2.6330000000e3  8.1818000000e2  2.6333000000e2 79.873000000000 32.840000000000  6.769000000000  2.835600000000
  0.011146177176  0.014665895647  0.027598040118  0.049444577471  0.075036350000  0.080879497059  0.162068670000  0.179380022941  0.066921942353  0.038741179353
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  6.6604058000e2 83.889799000000 10.797065000000
      11610.00000000
       2000.00000000
        545.00000000
        187.00000000
         73.80000000
         24.80000000
         10.80000000
          4.09000000
          1.85000000
          0.75800000
  0.021159811100  0.006667480810  0.002520607860
  0.104425120000  0.035166788000  0.013366905600
  0.303035115000  0.111144680000  0.042841611100
  0.453606821000  0.231215606000  0.092545449800
  0.252107333000  0.157300758000  0.067922571300
  0.022217305400 -0.451645276000 -0.255761306000
 -0.005764274330 -0.625003977000 -0.537052718000
  0.001719350540 -0.104174592000  0.182524464000
 -0.000362498690  0.008919546820  0.791626343000
  0.000420531120 -0.002536580230  0.285891103000
    6    1
 72.178031000000
        436.34730100
        110.64011900
         15.30121290
         38.25366400
          6.39840000
          1.79700000
  0.035709613100
  0.181589793000
  0.424308308000
  0.423681944000
  0.121735805000
  0.003944179570
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CUQR2D-3S
End of Spectral Representation Operator

/Zn.CG-AIMP.Barandiaran.9s6p5d3f.1s2p1d1f.ECP.18el.
Z. Barandiaran, L. Seijo. Can. J. Chem. 70 (1992) 409-415. doi:10.1139/v92-059
ZINC (9s,6p,5d,3f) -> [1s,2p,1d,1f]
********************************************************************************
*relativistic  core[Mg] val[3p,4s,3d]     (911/511*/511)=3s3p3d recomended
*ZNQR1S-PDS(9/51/5)
********************************************************************************
    18.0   3
* s-type functions
    9    1
       6050.71748000
        857.21248200
        185.30817300
         17.28532200
          6.11606493
          3.11298368
          1.16011639
          0.14278049
       4940.96517e-5
 -0.001213900720
 -0.008310687100
 -0.026614474800
  0.119944774000
  0.069731266400
 -0.198648420000
 -0.278865559000
  0.611116681000
  0.515035926000
* p-type functions
    6    2
        410.49441700
         94.47335590
         28.45851260
          3.43942986
          1.13180243
          0.12300000
 -0.017306352200  0.000000000000
 -0.106437158000  0.000000000000
 -0.255990172000  0.000000000000
  0.626069722000  0.000000000000
  0.467724226000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    5    1
         56.35081000
         15.75820370
          5.29778926
          1.76437521
       5152.59102e-4
  0.029472203800
  0.158352767000
  0.379449222000
  0.469330215000
  0.310770822000
* f-type functions
    3    1
          9.42026810
          3.37832500
          1.44663880
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: ZNQR1S-3S
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.1550000000e5  4.5000000000e4  1.0055000000e4  2.7332000000e3  8.5690000000e2  2.7661000000e2 84.770000000000 35.108000000000  7.217000000000  3.042600000000
  0.010992848889  0.014133644444  0.026499588889  0.047223192778  0.071017400000  0.076433238889  0.154968244444  0.166289927778  0.063651455556  0.035457126667
M2
  0
COREREP
 1.0
PROJOP
    1
   10    3
  7.1580026000e2 90.729887000000 11.600278000000
      14966.00000000
       2550.00000000
        687.60000000
        231.89000000
         88.74000000
         25.76000000
         11.15700000
          3.95000000
          1.82850000
          0.76670000
  0.017441759000  0.005422947500  0.002080983500
  0.086978106000  0.029729712000  0.011232164000
  0.267142980000  0.094754980000  0.036924359000
  0.449782410000  0.222274460000  0.087820350000
  0.306623870000  0.183226240000  0.080138732000
  0.033112161000 -0.479610090000 -0.283715130000
 -0.011704815000 -0.609714570000 -0.522246730000
  0.004811776000 -0.085841425000  0.290407310000
 -0.002109298400  0.011277626000  0.750266980000
  0.000875700850 -0.002829144300  0.233852670000
    6    1
 78.353761000000
        809.70000000
        206.50000000
         72.13000000
         28.99000000
         12.45300000
          5.01500000
  0.014982033000
  0.086414054000
  0.265668250000
  0.445144120000
  0.324028620000
  0.054824181000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ZNQR1S-3S
End of Spectral Representation Operator

********************************************************************************
*         C.1.2.2. Second Series Transition Metal Elements
********************************************************************************
*
* - d diffuse functions for  (4d,5s)n  configurations from
*   S.P. Walch, Ch.W. Bauschlicher, Jr., C.J. Nelin. J. Chem. Phys. 79 (1983) 3600-3602. doi:10.1063/1.446183
*
********************************************************************************

/Y.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.9el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
YTTRIUM (11s,8p,7d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*YQR2D-PDS(A1/71/61)
********************************************************************************
     9.0   2
* s-type functions
   11    1
      11780.26620000
       1581.69839000
        332.97441300
         32.46506950
         14.58111210
          5.54182585
          2.71820263
       9071.97762e-4
       3971.47199e-4
       6287.18866e-5
          0.02545032
  0.000653835821
  0.004548214530
  0.014795118000
 -0.063967443000
 -0.030534004600
  0.121613683000
  0.166799986000
 -0.216028177000
 -0.441992860000
  0.724853931000
  0.449797179000
* p-type functions
    8    2
        770.31806200
        176.68004600
         54.05224290
          8.30517594
          4.34961391
       8203.00219e-4
          0.29882080
          0.05600000
  0.006262044230  0.000000000000
  0.039670116800  0.000000000000
  0.098441978700  0.000000000000
 -0.192736658000  0.000000000000
 -0.234104174000  0.000000000000
  0.665345358000  0.000000000000
  0.451269540000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
         79.67964610
         22.28106600
          7.26689490
       8546.45719e-4
       2869.65621e-4
       8877.81189e-5
          0.03160000
 -0.013653790600  0.000000000000
 -0.065371816800  0.000000000000
 -0.114010891000  0.000000000000
  0.318660730000  0.000000000000
  0.530437736000  0.000000000000
  0.376082060000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: YQR2D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.0020000000e5  3.8340000000e4  8.0440000000e3  2.1160000000e3  6.2740000000e2  1.8420000000e2 72.530000000000 18.910000000000  8.430000000000  2.661000000000  1.005900000000
  0.040178936667  0.056393030000  0.107498014444  0.182950477778  0.232532033333  0.402352288889  0.524388200000  0.569388888889  0.911024988889  0.207726944444  0.098899532222
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.2609809000e3  1.7794671000e2 30.647325000000  4.479119100000
      26053.09400000
       4279.24800000
       1136.56590000
        382.62747000
        148.66226000
         46.20964700
         20.15802100
          6.73398810
          3.23837850
          1.22442460
          0.62145912
          0.27100000
  0.019730706000  0.006485661700  0.002729171500  0.001017263500
  0.094475751000  0.033793968000  0.013885551000  0.005058423800
  0.281187600000  0.105711210000  0.045324122000  0.016942054000
  0.450561750000  0.235035570000  0.101278090000  0.037130170000
  0.287464510000  0.170306850000  0.083688775000  0.032492147000
  0.029070389000 -0.493682680000 -0.338070730000 -0.137468430000
 -0.011304785000 -0.606302510000 -0.557044920000 -0.234843350000
  0.004659457400 -0.087042070000  0.474699410000  0.254117610000
 -0.001512147300  0.022499878000  0.745330110000  0.676106740000
  0.001858086300 -0.009878557600  0.097694645000 -0.101587890000
 -0.001526848100  0.005182896200 -0.013270164000 -0.875339190000
  0.000091780804 -0.001332260700  0.002699492400 -0.308644600000
   10    2
  1.5806578000e2 23.985448000000
       2503.18130000
        634.27157000
        222.41461000
         91.39439600
         41.30343100
         19.76641600
          9.49707740
          4.68746890
          2.33452860
          1.05900000
  0.006344303600  0.002721853600
  0.039270766000  0.016977979000
  0.142785460000  0.064518612000
  0.321211430000  0.152858650000
  0.407281700000  0.206627960000
  0.229254790000  0.021738648000
  0.040082461000 -0.363295500000
  0.000820347130 -0.504685650000
  0.000141280420 -0.230264900000
 -0.000097761167 -0.022690616000
    6    1
 12.984859000000
        158.87140000
         48.46900700
         18.50581900
          7.64451950
          3.22530000
          1.28700000
  0.018457027000
  0.103887280000
  0.289608150000
  0.435229390000
  0.336366780000
  0.085429613000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
YQR2D-3D
End of Spectral Representation Operator

/Zr.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.10el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
ZIRCONIUM (11s,8p,7d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*ZRQR5F-PDS(A1/71/61)
********************************************************************************
    10.0   2
* s-type functions
   11    1
      12534.54140000
       1672.80424000
        352.64973900
         33.94089520
         13.79577480
          6.15773318
          2.80085901
          1.12319133
       4517.29203e-4
       6573.37006e-5
       2695.83818e-5
  0.000664958689
  0.004628355590
  0.014914872200
 -0.067258525700
 -0.035714324200
  0.131910171000
  0.184989943000
 -0.211722740000
 -0.450974758000
  0.744947505000
  0.418936008000
* p-type functions
    8    2
        820.16840300
        187.92579900
         57.51190710
          8.88077680
          4.75270131
       9105.25377e-4
       3273.17643e-4
          0.05900000
  0.006455403900  0.000000000000
  0.041014243500  0.000000000000
  0.102242857000  0.000000000000
 -0.198480048000  0.000000000000
 -0.240033540000  0.000000000000
  0.675302930000  0.000000000000
  0.444908909000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
         87.47660790
         24.54251730
          8.06862451
       9677.73776e-4
       3209.84125e-4
       9648.82155e-5
          0.03820000
 -0.013627518700  0.000000000000
 -0.066435141300  0.000000000000
 -0.118129518000  0.000000000000
  0.328784150000  0.000000000000
  0.522039027000  0.000000000000
  0.384252977000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: ZRQR5F-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.8970000000e5  3.8460000000e4  8.2710000000e3  2.2130000000e3  6.6520000000e2  1.9700000000e2 77.600000000000 20.400000000000  9.158000000000  2.855000000000  1.090500000000
  0.037635150000  0.051422377000  0.097145684000  0.163990470000  0.207829180000  0.360099540000  0.475051750000  0.506927850000  0.828660490000  0.185752390000  0.085485116000
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.3317811000e3  1.8962522000e2 33.188680000000  4.808253400000
      27353.09400000
       4469.24800000
       1183.56590000
        397.62747000
        154.66226000
         47.80964700
         20.85802100
          7.08398810
          3.38837850
          1.22442460
          0.63145912
          0.27500000
  0.020165894000  0.006644805900  0.002820975500  0.001066955600
  0.096114124000  0.034656061000  0.014338482000  0.005365415700
  0.285127110000  0.107577810000  0.046556873000  0.017666288000
  0.452024390000  0.239012920000  0.103770280000  0.039138690000
  0.281880800000  0.162648960000  0.081059641000  0.031707832000
  0.027316097000 -0.515620170000 -0.360676330000 -0.149049820000
 -0.011296508000 -0.588196770000 -0.547818470000 -0.239633070000
  0.004712042600 -0.078604129000  0.513003980000  0.292892940000
 -0.001232636900  0.018538572000  0.731144030000  0.688888310000
  0.001646969500 -0.007905038000  0.083999128000 -0.235566630000
 -0.001521213500  0.004285952100 -0.014349360000 -0.832067630000
  0.000103577990 -0.001113231200  0.002825573000 -0.251922670000
   10    2
  1.6871688000e2 26.158716000000
       2503.18130000
        634.27157000
        222.61461000
         91.49439600
         41.29343100
         19.67641600
          9.44707740
          4.66646890
          2.31152860
          0.99300000
  0.006982808500  0.003025757000
  0.042822250000  0.018748027000
  0.153164360000  0.070124149000
  0.335966620000  0.162553800000
  0.406724290000  0.207485470000
  0.209297560000 -0.009102698600
  0.031219316000 -0.402701730000
  0.000660562510 -0.496048970000
 -0.000067936519 -0.190884920000
 -0.000063424461 -0.013317490000
    6    1
 14.593189000000
        174.67140000
         53.36900700
         20.41581900
          8.46451950
          3.59430000
          1.44500000
  0.017576999000
  0.100416300000
  0.285274670000
  0.436312340000
  0.339721240000
  0.084833993000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ZRQR5F-3D
End of Spectral Representation Operator

/Nb.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.11el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
NIOBIUM (11s,8p,7d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*NBQR6D-PDS(A1/71/61)
********************************************************************************
    11.0   2
* s-type functions
   11    1
      13656.71830000
       1809.43728000
        375.36737000
         36.70171010
         17.96354480
          7.06053734
          3.65646686
          1.06578829
       4944.27919e-4
       7405.10496e-5
       2968.80396e-5
  0.000678211802
  0.004727664800
  0.015688722800
 -0.064767962400
 -0.034526559000
  0.088176584500
  0.201943283000
 -0.221671738000
 -0.416426804000
  0.730087371000
  0.434699096000
* p-type functions
    8    2
        871.08089100
        199.46649200
         61.08228410
          9.45214111
          5.14569959
          1.00892759
       3638.91758e-4
          0.06500000
  0.006674089350  0.000000000000
  0.042480035200  0.000000000000
  0.106299793000  0.000000000000
 -0.207117441000  0.000000000000
 -0.245009028000  0.000000000000
  0.684748983000  0.000000000000
  0.437644362000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
         95.20939840
         26.78514490
          8.87096074
          1.11198777
       3810.98069e-4
       1172.14128e-4
          0.03310000
 -0.014723091100  0.000000000000
 -0.072806051500  0.000000000000
 -0.130968541000  0.000000000000
  0.349024554000  0.000000000000
  0.523012131000  0.000000000000
  0.352192605000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: NBQR6D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.0870000000e5  4.1490000000e4  8.9900000000e3  2.4160000000e3  7.3250000000e2  2.1900000000e2 86.070000000000 23.350000000000 10.324000000000  3.336000000000  1.236300000000
  0.034083027273  0.046117353636  0.086921038182  0.146915136364  0.186816063636  0.312955227273  0.442416600000  0.418969445455  0.791412063636  0.176798890909  0.083867890000
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.4048282000e3  2.0187612000e2 35.984060000000  5.306452200000
      29453.09400000
       4769.24800000
       1255.56590000
        420.62747000
        163.66226000
         50.30964700
         21.95802100
          7.40398810
          3.55837850
          1.26442460
          0.65045912
          0.28800000
  0.020062985000  0.006637204600  0.002844385800  0.001093369800
  0.095674783000  0.034681505000  0.014430253000  0.005551909500
  0.284748930000  0.107750560000  0.047073485000  0.018158259000
  0.451656470000  0.239657630000  0.104592830000  0.040620156000
  0.283328810000  0.162177310000  0.081836924000  0.032236575000
  0.027870189000 -0.519834650000 -0.369711400000 -0.155404300000
 -0.011913603000 -0.585250730000 -0.546488530000 -0.247987460000
  0.005084726700 -0.076860599000  0.543733840000  0.331194280000
 -0.001307930300  0.018792089000  0.712558770000  0.694241840000
  0.001634782000 -0.007885960100  0.074503773000 -0.348630340000
 -0.001606018300  0.004345284800 -0.013558544000 -0.788038960000
  0.000143128130 -0.001157830600  0.002741670700 -0.208704480000
   10    2
  1.7989068000e2 28.571469000000
       2533.18130000
        639.27157000
        223.51461000
         91.69439600
         41.47343100
         19.81641600
          9.61707740
          4.80146890
          2.39152860
          1.00300000
  0.007537715500  0.003293958700
  0.046198058000  0.020480065000
  0.163926380000  0.075944256000
  0.349585090000  0.171970820000
  0.401518820000  0.204910830000
  0.191480740000 -0.034860355000
  0.025654392000 -0.423192240000
  0.000693726350 -0.482967070000
 -0.000206336070 -0.170408920000
 -0.000047980671 -0.010285531000
    6    1
 16.430786000000
        186.97140000
         57.36900700
         22.07581900
          9.21451950
          3.94530000
          1.60100000
  0.017505426000
  0.099784723000
  0.283822120000
  0.436564410000
  0.339221150000
  0.083014902000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NBQR6D-3D
End of Spectral Representation Operator

/Mo.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.12el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
MOLYBDENUM (11s,8p,7d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*MOQR7S-PDS(A1/71/61)
********************************************************************************
    12.0   2
* s-type functions
   11    1
      14940.00690000
       1969.95797000
        401.19567200
         37.95228630
         17.35635450
          6.72182947
          3.31913157
          1.36785764
       5721.70827e-4
       8074.13884e-5
       3177.00047e-5
  0.000678688665
  0.004719030410
  0.016276133600
 -0.071108405700
 -0.031732520100
  0.138598994000
  0.189110732000
 -0.215570975000
 -0.447757030000
  0.719817028000
  0.440429317000
* p-type functions
    8    2
        924.70456700
        211.56283800
         64.80113980
         10.03228740
          5.55190594
          1.11047044
          0.40127236
          0.07000000
  0.006855062650  0.000000000000
  0.043731732500  0.000000000000
  0.109924693000  0.000000000000
 -0.215458053000  0.000000000000
 -0.248139324000  0.000000000000
  0.691614322000  0.000000000000
  0.432794825000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        102.96717800
         29.05527430
          9.69215797
          1.26047835
       4432.07746e-4
       1392.47361e-4
          0.04320000
 -0.015584740900  0.000000000000
 -0.077889544500  0.000000000000
 -0.141385880000  0.000000000000
  0.363733774000  0.000000000000
  0.522556572000  0.000000000000
  0.328235068000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: MOQR7S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.1550000000e5  4.1530000000e4  8.8850000000e3  2.3730000000e3  7.1480000000e2  2.1540000000e2 86.370000000000 23.050000000000 10.582000000000  3.276000000000  1.304400000000
  0.032011391667  0.043986504167  0.083355675000  0.139326908333  0.174640208333  0.303045166667  0.390843641667  0.426068825000  0.688581100000  0.150228691667  0.067911885833
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.4799685000e3  2.1452368000e2 38.854436000000  5.798071500000
      31653.09400000
       5099.24800000
       1338.56590000
        447.62747000
        173.66226000
         53.70964700
         23.45802100
          7.89398810
          3.82837850
          1.32442460
          0.68045912
          0.30300000
  0.019945440000  0.006640823100  0.002866522600  0.001118139700
  0.094760936000  0.034452480000  0.014431712000  0.005677130900
  0.282212370000  0.107284700000  0.047210153000  0.018481951000
  0.451283170000  0.238706340000  0.104841630000  0.041671119000
  0.287100710000  0.166122290000  0.084341343000  0.033514697000
  0.028545938000 -0.510584380000 -0.365886060000 -0.156086280000
 -0.012149439000 -0.593518500000 -0.556251530000 -0.259480090000
  0.005070451200 -0.080021633000  0.538743790000  0.343172060000
 -0.001084972700  0.019820707000  0.719502610000  0.707670910000
  0.001481501500 -0.008048470500  0.075407626000 -0.419198580000
 -0.001589405500  0.004511331300 -0.015835516000 -0.756360600000
  0.000146587530 -0.001218907500  0.003268605500 -0.181120340000
   10    2
  1.9141078000e2 31.046202000000
       2543.18130000
        640.27157000
        223.91461000
         91.99439600
         41.69343100
         19.90641600
          9.71707740
          4.88346890
          2.43252860
          0.97300000
  0.008221443300  0.003622831700
  0.050064511000  0.022457137000
  0.174652820000  0.081861150000
  0.361565890000  0.180660550000
  0.395834240000  0.201236770000
  0.174949270000 -0.062978325000
  0.020346150000 -0.447292380000
  0.000718789120 -0.466504810000
 -0.000332577880 -0.146375320000
 -0.000031664284 -0.007180438800
    6    1
 18.321890000000
        197.87140000
         60.66900700
         23.37581900
          9.80451950
          4.23730000
          1.73700000
  0.017789954000
  0.101766100000
  0.288021930000
  0.437993990000
  0.332522010000
  0.078110683000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
MOQR7S-3D
End of Spectral Representation Operator

/Tc.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.13el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
TECHNETIUM (11s,8p,7d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*TCQR6S-PDS(A1/71/61)
********************************************************************************
    13.0   2
* s-type functions
   11    1
      15850.41150000
       2073.69243000
        423.48251700
         40.18090330
         20.00672370
          6.70380015
          3.38757955
          1.44843305
       6172.25332e-4
       8960.37949e-5
       3417.02986e-5
  0.000693326584
  0.004832194380
  0.016457081500
 -0.071041977600
 -0.029780702500
  0.160681379000
  0.169250861000
 -0.233804824000
 -0.429354640000
  0.688154742000
  0.473508768000
* p-type functions
    8    2
        981.54230500
        224.31433900
         68.69343450
         10.56887560
          5.90294343
          1.22645406
       4536.39428e-4
          0.07600000
  0.007060673790  0.000000000000
  0.045174580800  0.000000000000
  0.114182633000  0.000000000000
 -0.230885655000  0.000000000000
 -0.248412388000  0.000000000000
  0.698152787000  0.000000000000
  0.427319690000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        110.91179400
         31.36328280
         10.52651090
          1.44120907
       5392.32564e-4
       1840.92788e-4
          0.06580000
 -0.017252088700  0.000000000000
 -0.087116800400  0.000000000000
 -0.159042441000  0.000000000000
  0.384147272000  0.000000000000
  0.524818898000  0.000000000000
  0.275193349000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: TCQR6S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.0920000000e5  4.2870000000e4  9.4630000000e3  2.5720000000e3  7.8490000000e2  2.3740000000e2 94.590000000000 25.550000000000 11.615000000000  3.646000000000  1.462600000000
  0.030343486923  0.040172220769  0.075457240000  0.126100392308  0.159289238462  0.270453330769  0.369868084615  0.374184007692  0.656350930769  0.140440953846  0.065032427692
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.5575413000e3  2.2791038000e2 42.139554000000  6.602222700000
      35253.09400000
       5629.24800000
       1467.56590000
        487.62747000
        187.66226000
         57.00964700
         24.95802100
          8.45398810
          4.13837850
          1.45442460
          0.75445912
          0.34300000
  0.019116250000  0.006384476600  0.002771614600  0.001103812000
  0.090806832000  0.033160189000  0.013996459000  0.005630357800
  0.273931650000  0.103943780000  0.045965098000  0.018372409000
  0.449994690000  0.235993820000  0.104391580000  0.042427313000
  0.299886480000  0.174595610000  0.088331074000  0.035818083000
  0.031649886000 -0.503598010000 -0.363072820000 -0.158384230000
 -0.013821747000 -0.598031980000 -0.565100990000 -0.270572230000
  0.005987346000 -0.083109897000  0.528410170000  0.348454990000
 -0.001590014700  0.020955873000  0.728551030000  0.731843060000
  0.001878489100 -0.008549607400  0.079748114000 -0.421828700000
 -0.001910808800  0.004799905200 -0.016600018000 -0.766994580000
  0.000208255150 -0.001307016000  0.003428972500 -0.179013250000
   10    2
  2.0361419000e2 33.919693000000
       2543.18130000
        641.27157000
        224.81461000
         92.59439600
         42.05343100
         20.05641500
          9.84707740
          4.98746890
          2.49752860
          0.99900000
  0.008979375700  0.003988952200
  0.053989915000  0.024491360000
  0.184791170000  0.087583555000
  0.371862020000  0.188553410000
  0.389337310000  0.196384700000
  0.160309260000 -0.090232593000
  0.016070565000 -0.467453290000
  0.000761020190 -0.446770010000
 -0.000434958000 -0.126997740000
 -0.000016740783 -0.005673752800
    6    1
 20.599436000000
        196.67140000
         60.36900700
         23.36581900
          9.88451950
          4.34230000
          1.81400000
  0.020291337000
  0.112965710000
  0.305670710000
  0.439226410000
  0.308435250000
  0.066289332000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TCQR6S-3D
End of Spectral Representation Operator

/Ru.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.14el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
RUTHENIUM (11s,8p,7d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*RUQR5F-PDS(A1/71/61)
********************************************************************************
    14.0   2
* s-type functions
   11    1
      16917.15250000
       2197.22508000
        447.46941800
         42.11364560
         20.52792180
          7.27416070
          3.82240028
          1.49723475
       6507.37763e-4
       8852.15084e-5
       3363.41765e-5
  0.000668503753
  0.004664125090
  0.015870442500
 -0.069952941100
 -0.028338388800
  0.147123233000
  0.161075100000
 -0.230844126000
 -0.384290226000
  0.672392743000
  0.475274534000
* p-type functions
    8    2
       1040.33483000
        237.35592500
         72.66329720
         11.21018720
          6.38260303
          1.32555466
       4819.32772e-4
          0.07400000
  0.007151491140  0.000000000000
  0.045898343100  0.000000000000
  0.116521121000  0.000000000000
 -0.233963836000  0.000000000000
 -0.249757755000  0.000000000000
  0.703025494000  0.000000000000
  0.424768010000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        120.22527400
         34.07763790
         11.49486730
          1.56613219
       5592.74043e-4
       1752.51696e-4
          0.07280000
 -0.016490332400  0.000000000000
 -0.084466749000  0.000000000000
 -0.157297149000  0.000000000000
  0.386633296000  0.000000000000
  0.517189825000  0.000000000000
  0.306499651000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: RUQR5F-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.2770000000e5  4.6000000000e4  1.0270000000e4  2.8200000000e3  8.6490000000e2  2.5890000000e2  1.0216000000e2 28.010000000000 12.675000000000  4.019000000000  1.576100000000
  0.028083737857  0.036768183571  0.068559163571  0.114576485714  0.147736835714  0.246952792857  0.349363842857  0.331515992857  0.624812278571  0.132797407143  0.061690427143
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.6367307000e3  2.4116754000e2 44.963181000000  6.882493800000
      38053.09400000
       6019.24800000
       1559.56590000
        515.62747000
        197.66226000
         60.40964700
         26.45802100
          8.98398810
          4.42837850
          1.58442460
          0.80245912
          0.35400000
  0.018939932000  0.006361518100  0.002776866600  0.001115636700
  0.089975460000  0.032966399000  0.014009214000  0.005692266200
  0.272522000000  0.103861270000  0.046179242000  0.018621428000
  0.450960010000  0.236283290000  0.105234930000  0.043211927000
  0.301685670000  0.176395590000  0.089612745000  0.036629624000
  0.031723228000 -0.499262810000 -0.362407760000 -0.159647460000
 -0.013926858000 -0.601825750000 -0.572097140000 -0.277626340000
  0.005972986900 -0.085037915000  0.527174870000  0.355961790000
 -0.001421019900  0.021763538000  0.731141800000  0.742138200000
  0.001742206800 -0.008468768500  0.079021310000 -0.441000950000
 -0.001816239300  0.004458708700 -0.014466027000 -0.765519900000
  0.000166908950 -0.001213132600  0.003042511600 -0.172402690000
   10    2
  2.1563670000e2 36.321980000000
       2603.18130000
        657.27157000
        231.21461000
         95.49439600
         43.42343100
         20.67641600
         10.14707700
          5.13546890
          2.54652860
          0.91500000
  0.009434425400  0.004225637700
  0.056097583000  0.025689350000
  0.189436450000  0.090659140000
  0.376090840000  0.192820310000
  0.386283910000  0.194512090000
  0.153786340000 -0.105636410000
  0.014017858000 -0.483788720000
  0.000681439650 -0.435720040000
 -0.000468675690 -0.111018290000
 -0.000020073999 -0.003922117200
    6    1
 22.401454000000
        198.47140000
         60.86900700
         23.60581900
         10.04452000
          4.46330000
          1.88300000
  0.022416501000
  0.122733600000
  0.320834140000
  0.440038900000
  0.287640070000
  0.056196070000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
RUQR5F-3D
End of Spectral Representation Operator

/Rh.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.15el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
RHODIUM (11s,8p,7d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*RHQR4F-PDS(A1/71/61)
********************************************************************************
    15.0   2
* s-type functions
   11    1
      18024.02580000
       2323.24549000
        471.18285500
         44.23952970
         18.23299160
          9.28518095
          4.76860067
          1.50877278
       6851.53174e-4
       9127.51768e-5
       3418.78402e-5
  0.000656546958
  0.004587021010
  0.015604443200
 -0.070602085500
 -0.039858761600
  0.107495042000
  0.191382923000
 -0.227378213000
 -0.349392621000
  0.653871029000
  0.487477151000
* p-type functions
    8    2
       1102.08983000
        251.04737400
         76.81274260
         11.80368720
          6.80386691
          1.43845679
       5238.83821e-4
          0.07500000
  0.007268355070  0.000000000000
  0.046795685600  0.000000000000
  0.119424885000  0.000000000000
 -0.244239915000  0.000000000000
 -0.247823391000  0.000000000000
  0.707146655000  0.000000000000
  0.422239696000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        129.14566400
         36.68062820
         12.43422500
          1.72780654
       6217.45783e-4
       1956.65629e-4
          0.07620000
 -0.016818936800  0.000000000000
 -0.087010901700  0.000000000000
 -0.163717916000  0.000000000000
  0.394688195000  0.000000000000
  0.515007529000  0.000000000000
  0.297629395000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: RHQR4F1-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.4290000000e5  4.8160000000e4  1.0757000000e4  2.9590000000e3  9.1500000000e2  2.7720000000e2  1.0950000000e2 30.540000000000 13.743000000000  4.400000000000  1.714600000000
  0.026343455333  0.034474798000  0.064245998000  0.106875086667  0.136705726667  0.226416033333  0.328477813333  0.297319326667  0.595042906667  0.125351193333  0.058747653333
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.7183314000e3  2.5511758000e2 48.151055000000  7.430736000000
      40953.09400000
       6449.24800000
       1667.56590000
        549.62747000
        209.66226000
         64.00964700
         28.05802100
          9.60398810
          4.76837850
          1.72442460
          0.87245912
          0.38400000
  0.018779500000  0.006340994300  0.002781347000  0.001131254900
  0.088600929000  0.032584698000  0.013942281000  0.005739098600
  0.268776450000  0.102726790000  0.045892630000  0.018734315000
  0.450519120000  0.235257060000  0.105481970000  0.043881785000
  0.307088600000  0.180467310000  0.091759935000  0.037964304000
  0.032835387000 -0.493450310000 -0.360009580000 -0.160725060000
 -0.014567711000 -0.606101910000 -0.580494630000 -0.286218480000
  0.006258159900 -0.087491870000  0.515335710000  0.355998380000
 -0.001451667200  0.022289991000  0.741800060000  0.759844300000
  0.001823324400 -0.008489641500  0.082850490000 -0.440359450000
 -0.001903484300  0.004365735400 -0.014728197000 -0.771272180000
  0.000163566010 -0.001193178000  0.003111910000 -0.174328200000
   10    2
  2.2829003000e2 39.070918000000
       3033.18130000
        763.27157000
        268.01461000
        110.69440000
         50.40343100
         24.19641600
         11.83707700
          5.97846890
          2.97152860
          1.11800000
  0.008051382400  0.003639616400
  0.048523358000  0.022308248000
  0.168686560000  0.081038784000
  0.353091870000  0.180619500000
  0.397831530000  0.208427140000
  0.185587720000 -0.049293557000
  0.023436912000 -0.450405950000
  0.000346318610 -0.475714840000
 -0.000361161070 -0.142799250000
 -0.000069495081 -0.006214180800
    6    1
 24.536834000000
        199.67140000
         61.66900700
         24.18581900
         10.41451900
          4.68230000
          1.99300000
  0.024715030000
  0.130653220000
  0.328622900000
  0.437286220000
  0.274829100000
  0.050969707000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
RHQR4F1-3D
End of Spectral Representation Operator

/Pd.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.16el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
PALLADIUM (11s,8p,7d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*PDQR3D-PDS(A1/71/61)
********************************************************************************
    16.0   2
* s-type functions
   11    1
      19143.61820000
       2452.84267000
        496.22375300
         46.69192300
         21.08295890
          9.63844398
          5.12848505
          1.66291793
       7388.97076e-4
       9314.67975e-5
       3451.25302e-5
  0.000644466051
  0.004495697350
  0.015281921500
 -0.068180656500
 -0.033270438400
  0.095878059600
  0.190373471000
 -0.215993878000
 -0.340017478000
  0.641147069000
  0.493260928000
* p-type functions
    8    2
       1162.56250000
        264.61877200
         80.98508910
         12.47188030
          7.28442623
          1.55301271
       5663.06773e-4
          0.07700000
  0.007405123870  0.000000000000
  0.047715383700  0.000000000000
  0.122090852000  0.000000000000
 -0.250098350000  0.000000000000
 -0.249094313000  0.000000000000
  0.711177885000  0.000000000000
  0.419262512000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        138.30674800
         39.35687280
         13.40255250
          1.89538692
          0.68667140
       2170.61028e-4
          0.08380000
 -0.017080379100  0.000000000000
 -0.089154824400  0.000000000000
 -0.169323974000  0.000000000000
  0.401247684000  0.000000000000
  0.513018406000  0.000000000000
  0.290338805000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: PDQR3D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.2870000000e5  4.7790000000e4  1.0906000000e4  3.0370000000e3  9.4280000000e2  2.8630000000e2  1.1369000000e2 31.490000000000 14.424000000000  4.534000000000  1.817500000000
  0.025696438125  0.032817888750  0.060775398750  0.100661668750  0.128688037500  0.215809275000  0.305715631250  0.288731650000  0.549498543750  0.114352481250  0.052252993750
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.8021072000e3  2.6949832000e2 51.435466000000  7.988634200000
      44553.09400000
       6949.24800000
       1784.56590000
        585.62747000
        222.66226000
         67.50964700
         29.65802100
         10.19398800
          5.09837850
          1.88442460
          0.94545912
          0.41400000
  0.018439366000  0.006252480900  0.002755392500  0.001133719500
  0.086976268000  0.032122467000  0.013833873000  0.005757047700
  0.265429150000  0.101640770000  0.045610385000  0.018835363000
  0.449497130000  0.234222630000  0.105673800000  0.044442697000
  0.312814250000  0.183797260000  0.093512557000  0.039163396000
  0.034624307000 -0.489446810000 -0.359437140000 -0.162593760000
 -0.015732116000 -0.608274270000 -0.586164100000 -0.292947560000
  0.006923398800 -0.089758711000  0.511243680000  0.360567390000
 -0.001791306900  0.023380187000  0.745213410000  0.774081780000
  0.002060755900 -0.008774483300  0.084715138000 -0.438167410000
 -0.002066884700  0.004344085900 -0.013520274000 -0.781694660000
  0.000178785580 -0.001193959600  0.002904726300 -0.175367480000
   10    2
  2.4131119000e2 41.900342000000
       3253.18130000
        817.27157000
        286.51461000
        118.29440000
         53.90343100
         25.93641500
         12.70707700
          6.43146890
          3.19852860
          1.19500000
  0.007828142700  0.003565534700
  0.047280672000  0.021889722000
  0.165349400000  0.079976422000
  0.349080370000  0.179680350000
  0.399000060000  0.211175820000
  0.191196170000 -0.040625705000
  0.025379989000 -0.446492110000
  0.000211202800 -0.481523310000
 -0.000359895940 -0.146103620000
 -0.000086652468 -0.006431916500
    6    1
 26.741491000000
        213.67140000
         66.16900700
         26.07581900
         11.29452000
          5.10230000
          2.17800000
  0.024211087000
  0.128355530000
  0.324577530000
  0.437092780000
  0.278422980000
  0.051948633000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PDQR3D-3D
End of Spectral Representation Operator

/Ag.CG-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.17el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
SILVER (11s,8p,7d) -> [1s,2p,2d]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*AGQR2S-PDS(A1/71/61)
********************************************************************************
    17.0   2
* s-type functions
   11    1
      20518.75760000
       2606.72686000
        524.12613000
         48.37225850
         18.15035200
         10.02657410
          4.85513422
          1.90540673
       7923.55078e-4
       9468.34963e-5
       3476.88842e-5
  0.000623423921
  0.004358661900
  0.014893217900
 -0.069852776500
 -0.044172259000
  0.136505409000
  0.173321718000
 -0.217002025000
 -0.333632479000
  0.628020129000
  0.500187283000
* p-type functions
    8    2
       1224.63380000
        278.57579100
         85.28367000
         13.14915150
          7.77386076
          1.67104585
       6097.77321e-4
          0.07800000
  0.007533934140  0.000000000000
  0.048561235100  0.000000000000
  0.124548510000  0.000000000000
 -0.256368497000  0.000000000000
 -0.249181527000  0.000000000000
  0.714491229000  0.000000000000
  0.416944485000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        147.70085700
         42.10173320
         14.39717500
          2.06877596
       7547.32186e-4
       2401.66827e-4
          0.08660000
 -0.017303581400  0.000000000000
 -0.091052335900  0.000000000000
 -0.174377818000  0.000000000000
  0.406790088000  0.000000000000
  0.511261271000  0.000000000000
  0.283491050000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: AGQR2S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.3910000000e5  4.8800000000e4  1.1082000000e4  3.0870000000e3  9.5780000000e2  2.9260000000e2  1.1730000000e2 32.260000000000 15.067000000000  4.650000000000  1.916800000000
  0.024511188824  0.031565950588  0.058359524706  0.096090570588  0.121900635294  0.207275635294  0.283978541176  0.283887505882  0.505975300000  0.104837364706  0.046323661176
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.8880680000e3  2.8430635000e2 54.810175000000  8.550901800000
      48253.09400000
       7469.24800000
       1906.56590000
        622.62747000
        235.66226000
         71.30964700
         31.35802100
         10.86398800
          5.46837850
          2.05442460
          1.02845910
          0.44900000
  0.018166858000  0.006191106400  0.002739873900  0.001138973700
  0.085482973000  0.031683603000  0.013731438000  0.005769845400
  0.262229570000  0.100706880000  0.045373268000  0.018930775000
  0.449107130000  0.233345890000  0.105927040000  0.044978808000
  0.317811740000  0.187297210000  0.095344411000  0.040366889000
  0.035937230000 -0.484308350000 -0.357326220000 -0.163516810000
 -0.016567852000 -0.611707960000 -0.593540540000 -0.300160790000
  0.007356532000 -0.092075778000  0.499863500000  0.358457340000
 -0.001945529100  0.023924608000  0.754542630000  0.790635230000
  0.002230127500 -0.008820116600  0.088747924000 -0.425939290000
 -0.002193080000  0.004230460900 -0.013189638000 -0.793173250000
  0.000176832060 -0.001171335500  0.002863920700 -0.181818120000
   10    2
  2.5469332000e2 44.803178000000
       3563.18130000
        893.27157000
        312.91461000
        129.09440000
         58.77343100
         28.29641500
         13.83707700
          7.00046890
          3.48052860
          1.30300000
  0.007358528800  0.003376831500
  0.044565198000  0.020751682000
  0.157541380000  0.076615307000
  0.339956580000  0.175596370000
  0.402463880000  0.215853750000
  0.203699170000 -0.022013954000
  0.029466762000 -0.436000630000
  0.000064150091 -0.493473690000
 -0.000342000870 -0.155177560000
 -0.000110974790 -0.007132875700
    6    1
 29.007748000000
        229.07140000
         70.96900700
         27.99581900
         12.15451900
          5.50930000
          2.35900000
  0.023581713000
  0.126200890000
  0.322473130000
  0.438089030000
  0.279949270000
  0.052078278000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
AGQR2S-3D
End of Spectral Representation Operator

/Cd.CG-AIMP.Barandiaran.11s8p6d.1s2p1d.ECP.18el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
CADMIUM (11s,8p,6d) -> [1s,2p,1d]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/611)=3s3p3d recommended
*CDQR1S-PDS(A1/71/6)
********************************************************************************
    18.0   2
* s-type functions
   11    1
      21853.98590000
       2756.32757000
        551.70807700
         50.66690160
         18.72571320
         10.23501780
          4.77412343
          2.30791002
       9284.96395e-4
       1208.52304e-4
       4370.44818e-5
  0.000710053898
  0.004964314290
  0.016993573600
 -0.080486390100
 -0.049813170800
  0.172932281000
  0.207643200000
 -0.234524059000
 -0.414892337000
  0.660113648000
  0.488228775000
* p-type functions
    8    2
       1291.79120000
        293.44901800
         89.79891540
         13.76174890
          8.16959841
          1.80674425
       6712.31599e-4
          0.09900000
  0.007683132770  0.000000000000
  0.049619972000  0.000000000000
  0.127786306000  0.000000000000
 -0.271951772000  0.000000000000
 -0.244729511000  0.000000000000
  0.719338339000  0.000000000000
  0.412849025000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    1
        157.04219200
         44.83258310
         15.39507910
          2.27686900
       8601.31528e-4
          0.28984547
 -0.018143664900
 -0.096079421700
 -0.184795391000
  0.416147762000
  0.510750308000
  0.255774124000
********************************************************************************
* Core AIMP: CDQR1S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.6910000000e5  5.4100000000e4  1.2511000000e4  3.5280000000e3  1.1065000000e3  3.3890000000e2  1.3301000000e2 38.590000000000 17.109000000000  5.673000000000  2.199400000000
  0.022656432222  0.028742478889  0.052427206667  0.087178016667  0.112598150000  0.181346016667  0.279622788889  0.226432016667  0.516310544444  0.107042405556  0.052310611111
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.9766290000e3  2.9996194000e2 58.690731000000  9.496405900000
      52153.09400000
       8009.24800000
       2036.56590000
        662.62747000
        249.66226000
         75.50964700
         33.25802100
         11.61398800
          5.89837850
          2.29442460
          1.15845910
          0.51400000
  0.017949139000  0.006150875700  0.002731692600  0.001153987200
  0.084083113000  0.031265795000  0.013641294000  0.005805087100
  0.258501020000  0.099597082000  0.045026330000  0.019089603000
  0.448178650000  0.231948120000  0.105973780000  0.045559931000
  0.323463660000  0.191593390000  0.097450914000  0.042027104000
  0.037623025000 -0.475723350000 -0.351874440000 -0.163924900000
 -0.017535419000 -0.617323940000 -0.603041030000 -0.309033360000
  0.007904263500 -0.096481930000  0.479438840000  0.348220730000
 -0.002282218000  0.025539716000  0.767156910000  0.818333410000
  0.002634396100 -0.009519218500  0.097089237000 -0.376072240000
 -0.002456760200  0.004462199000 -0.012502066000 -0.828425550000
  0.000185462490 -0.001241844700  0.002750537300 -0.201320280000
   10    2
  2.6884956000e2 48.190652000000
       3893.18130000
        972.27157000
        339.71461000
        139.99440000
         63.75343100
         30.76641600
         15.06707700
          7.64646890
          3.82352860
          1.49600000
  0.006941083100  0.003207504700
  0.042283642000  0.019803448000
  0.151141840000  0.073891342000
  0.331785410000  0.172042770000
  0.404000270000  0.219014870000
  0.214888440000 -0.004591451500
  0.033913978000 -0.421606210000
 -0.000035085985 -0.503436270000
 -0.000318397230 -0.168041090000
 -0.000140577050 -0.008702003200
    6    1
 31.742503000000
        250.27140000
         77.66900700
         30.66581900
         13.32452000
          6.04630000
          2.59800000
  0.022061759000
  0.119997340000
  0.314615320000
  0.439394060000
  0.288833730000
  0.055411587000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CDQR1S-3D
End of Spectral Representation Operator

********************************************************************************
*
* - d diffuse functions for  (4d,5s)n  configurations from
*   S.P. Walch, Ch.W. Bauschlicher, Jr., C.J. Nelin. J. Chem. Phys. 79 (1983) 3600-3602. doi:10.1063/1.446183
* - f-pol+corr. 1-STO from same ref.; 1STO->3GTO from
*   R.F. Stewart. J. Chem. Phys. 52 (1970) 431-438. doi:10.1063/1.1672702
*
********************************************************************************

/Y.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.9el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
YTTRIUM (11s,8p,7d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*YQR2D-PDS(A1/71/61)
********************************************************************************
     9.0   3
* s-type functions
   11    1
      11780.26620000
       1581.69839000
        332.97441300
         32.46506950
         14.58111210
          5.54182585
          2.71820263
       9071.97762e-4
       3971.47199e-4
       6287.18866e-5
          0.02545032
  0.000653835821
  0.004548214530
  0.014795118000
 -0.063967443000
 -0.030534004600
  0.121613683000
  0.166799986000
 -0.216028177000
 -0.441992860000
  0.724853931000
  0.449797179000
* p-type functions
    8    2
        770.31806200
        176.68004600
         54.05224290
          8.30517594
          4.34961391
       8203.00219e-4
          0.29882080
          0.05600000
  0.006262044230  0.000000000000
  0.039670116800  0.000000000000
  0.098441978700  0.000000000000
 -0.192736658000  0.000000000000
 -0.234104174000  0.000000000000
  0.665345358000  0.000000000000
  0.451269540000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
         79.67964610
         22.28106600
          7.26689490
       8546.45719e-4
       2869.65621e-4
       8877.81189e-5
          0.03160000
 -0.013653790600  0.000000000000
 -0.065371816800  0.000000000000
 -0.114010891000  0.000000000000
  0.318660730000  0.000000000000
  0.530437736000  0.000000000000
  0.376082060000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          0.64436864
          0.23108542
          0.09895352
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: YQR2D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.0020000000e5  3.8340000000e4  8.0440000000e3  2.1160000000e3  6.2740000000e2  1.8420000000e2 72.530000000000 18.910000000000  8.430000000000  2.661000000000  1.005900000000
  0.040178936667  0.056393030000  0.107498014444  0.182950477778  0.232532033333  0.402352288889  0.524388200000  0.569388888889  0.911024988889  0.207726944444  0.098899532222
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.2609809000e3  1.7794671000e2 30.647325000000  4.479119100000
      26053.09400000
       4279.24800000
       1136.56590000
        382.62747000
        148.66226000
         46.20964700
         20.15802100
          6.73398810
          3.23837850
          1.22442460
          0.62145912
          0.27100000
  0.019730706000  0.006485661700  0.002729171500  0.001017263500
  0.094475751000  0.033793968000  0.013885551000  0.005058423800
  0.281187600000  0.105711210000  0.045324122000  0.016942054000
  0.450561750000  0.235035570000  0.101278090000  0.037130170000
  0.287464510000  0.170306850000  0.083688775000  0.032492147000
  0.029070389000 -0.493682680000 -0.338070730000 -0.137468430000
 -0.011304785000 -0.606302510000 -0.557044920000 -0.234843350000
  0.004659457400 -0.087042070000  0.474699410000  0.254117610000
 -0.001512147300  0.022499878000  0.745330110000  0.676106740000
  0.001858086300 -0.009878557600  0.097694645000 -0.101587890000
 -0.001526848100  0.005182896200 -0.013270164000 -0.875339190000
  0.000091780804 -0.001332260700  0.002699492400 -0.308644600000
   10    2
  1.5806578000e2 23.985448000000
       2503.18130000
        634.27157000
        222.41461000
         91.39439600
         41.30343100
         19.76641600
          9.49707740
          4.68746890
          2.33452860
          1.05900000
  0.006344303600  0.002721853600
  0.039270766000  0.016977979000
  0.142785460000  0.064518612000
  0.321211430000  0.152858650000
  0.407281700000  0.206627960000
  0.229254790000  0.021738648000
  0.040082461000 -0.363295500000
  0.000820347130 -0.504685650000
  0.000141280420 -0.230264900000
 -0.000097761167 -0.022690616000
    6    1
 12.984859000000
        158.87140000
         48.46900700
         18.50581900
          7.64451950
          3.22530000
          1.28700000
  0.018457027000
  0.103887280000
  0.289608150000
  0.435229390000
  0.336366780000
  0.085429613000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
YQR2D-3D
End of Spectral Representation Operator

/Zr.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.10el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
ZIRCONIUM (11s,8p,7d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*ZRQR5F-PDS(A1/71/61)
********************************************************************************
    10.0   3
* s-type functions
   11    1
      12534.54140000
       1672.80424000
        352.64973900
         33.94089520
         13.79577480
          6.15773318
          2.80085901
          1.12319133
       4517.29203e-4
       6573.37006e-5
       2695.83818e-5
  0.000664958689
  0.004628355590
  0.014914872200
 -0.067258525700
 -0.035714324200
  0.131910171000
  0.184989943000
 -0.211722740000
 -0.450974758000
  0.744947505000
  0.418936008000
* p-type functions
    8    2
        820.16840300
        187.92579900
         57.51190710
          8.88077680
          4.75270131
       9105.25377e-4
       3273.17643e-4
          0.05900000
  0.006455403900  0.000000000000
  0.041014243500  0.000000000000
  0.102242857000  0.000000000000
 -0.198480048000  0.000000000000
 -0.240033540000  0.000000000000
  0.675302930000  0.000000000000
  0.444908909000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
         87.47660790
         24.54251730
          8.06862451
       9677.73776e-4
       3209.84125e-4
       9648.82155e-5
          0.03820000
 -0.013627518700  0.000000000000
 -0.066435141300  0.000000000000
 -0.118129518000  0.000000000000
  0.328784150000  0.000000000000
  0.522039027000  0.000000000000
  0.384252977000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          1.04267457
          0.37392710
          0.16012002
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: ZRQR5F-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.8970000000e5  3.8460000000e4  8.2710000000e3  2.2130000000e3  6.6520000000e2  1.9700000000e2 77.600000000000 20.400000000000  9.158000000000  2.855000000000  1.090500000000
  0.037635150000  0.051422377000  0.097145684000  0.163990470000  0.207829180000  0.360099540000  0.475051750000  0.506927850000  0.828660490000  0.185752390000  0.085485116000
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.3317811000e3  1.8962522000e2 33.188680000000  4.808253400000
      27353.09400000
       4469.24800000
       1183.56590000
        397.62747000
        154.66226000
         47.80964700
         20.85802100
          7.08398810
          3.38837850
          1.22442460
          0.63145912
          0.27500000
  0.020165894000  0.006644805900  0.002820975500  0.001066955600
  0.096114124000  0.034656061000  0.014338482000  0.005365415700
  0.285127110000  0.107577810000  0.046556873000  0.017666288000
  0.452024390000  0.239012920000  0.103770280000  0.039138690000
  0.281880800000  0.162648960000  0.081059641000  0.031707832000
  0.027316097000 -0.515620170000 -0.360676330000 -0.149049820000
 -0.011296508000 -0.588196770000 -0.547818470000 -0.239633070000
  0.004712042600 -0.078604129000  0.513003980000  0.292892940000
 -0.001232636900  0.018538572000  0.731144030000  0.688888310000
  0.001646969500 -0.007905038000  0.083999128000 -0.235566630000
 -0.001521213500  0.004285952100 -0.014349360000 -0.832067630000
  0.000103577990 -0.001113231200  0.002825573000 -0.251922670000
   10    2
  1.6871688000e2 26.158716000000
       2503.18130000
        634.27157000
        222.61461000
         91.49439600
         41.29343100
         19.67641600
          9.44707740
          4.66646890
          2.31152860
          0.99300000
  0.006982808500  0.003025757000
  0.042822250000  0.018748027000
  0.153164360000  0.070124149000
  0.335966620000  0.162553800000
  0.406724290000  0.207485470000
  0.209297560000 -0.009102698600
  0.031219316000 -0.402701730000
  0.000660562510 -0.496048970000
 -0.000067936519 -0.190884920000
 -0.000063424461 -0.013317490000
    6    1
 14.593189000000
        174.67140000
         53.36900700
         20.41581900
          8.46451950
          3.59430000
          1.44500000
  0.017576999000
  0.100416300000
  0.285274670000
  0.436312340000
  0.339721240000
  0.084833993000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ZRQR5F-3D
End of Spectral Representation Operator

/Nb.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.11el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
NIOBIUM (11s,8p,7d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*NBQR6D-PDS(A1/71/61)
********************************************************************************
    11.0   3
* s-type functions
   11    1
      13656.71830000
       1809.43728000
        375.36737000
         36.70171010
         17.96354480
          7.06053734
          3.65646686
          1.06578829
       4944.27919e-4
       7405.10496e-5
       2968.80396e-5
  0.000678211802
  0.004727664800
  0.015688722800
 -0.064767962400
 -0.034526559000
  0.088176584500
  0.201943283000
 -0.221671738000
 -0.416426804000
  0.730087371000
  0.434699096000
* p-type functions
    8    2
        871.08089100
        199.46649200
         61.08228410
          9.45214111
          5.14569959
          1.00892759
       3638.91758e-4
          0.06500000
  0.006674089350  0.000000000000
  0.042480035200  0.000000000000
  0.106299793000  0.000000000000
 -0.207117441000  0.000000000000
 -0.245009028000  0.000000000000
  0.684748983000  0.000000000000
  0.437644362000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
         95.20939840
         26.78514490
          8.87096074
          1.11198777
       3810.98069e-4
       1172.14128e-4
          0.03310000
 -0.014723091100  0.000000000000
 -0.072806051500  0.000000000000
 -0.130968541000  0.000000000000
  0.349024554000  0.000000000000
  0.523012131000  0.000000000000
  0.352192605000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          1.52177046
          0.54574191
          0.23369316
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: NBQR6D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.0870000000e5  4.1490000000e4  8.9900000000e3  2.4160000000e3  7.3250000000e2  2.1900000000e2 86.070000000000 23.350000000000 10.324000000000  3.336000000000  1.236300000000
  0.034083027273  0.046117353636  0.086921038182  0.146915136364  0.186816063636  0.312955227273  0.442416600000  0.418969445455  0.791412063636  0.176798890909  0.083867890000
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.4048282000e3  2.0187612000e2 35.984060000000  5.306452200000
      29453.09400000
       4769.24800000
       1255.56590000
        420.62747000
        163.66226000
         50.30964700
         21.95802100
          7.40398810
          3.55837850
          1.26442460
          0.65045912
          0.28800000
  0.020062985000  0.006637204600  0.002844385800  0.001093369800
  0.095674783000  0.034681505000  0.014430253000  0.005551909500
  0.284748930000  0.107750560000  0.047073485000  0.018158259000
  0.451656470000  0.239657630000  0.104592830000  0.040620156000
  0.283328810000  0.162177310000  0.081836924000  0.032236575000
  0.027870189000 -0.519834650000 -0.369711400000 -0.155404300000
 -0.011913603000 -0.585250730000 -0.546488530000 -0.247987460000
  0.005084726700 -0.076860599000  0.543733840000  0.331194280000
 -0.001307930300  0.018792089000  0.712558770000  0.694241840000
  0.001634782000 -0.007885960100  0.074503773000 -0.348630340000
 -0.001606018300  0.004345284800 -0.013558544000 -0.788038960000
  0.000143128130 -0.001157830600  0.002741670700 -0.208704480000
   10    2
  1.7989068000e2 28.571469000000
       2533.18130000
        639.27157000
        223.51461000
         91.69439600
         41.47343100
         19.81641600
          9.61707740
          4.80146890
          2.39152860
          1.00300000
  0.007537715500  0.003293958700
  0.046198058000  0.020480065000
  0.163926380000  0.075944256000
  0.349585090000  0.171970820000
  0.401518820000  0.204910830000
  0.191480740000 -0.034860355000
  0.025654392000 -0.423192240000
  0.000693726350 -0.482967070000
 -0.000206336070 -0.170408920000
 -0.000047980671 -0.010285531000
    6    1
 16.430786000000
        186.97140000
         57.36900700
         22.07581900
          9.21451950
          3.94530000
          1.60100000
  0.017505426000
  0.099784723000
  0.283822120000
  0.436564410000
  0.339221150000
  0.083014902000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NBQR6D-3D
End of Spectral Representation Operator

/Mo.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.12el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
MOLYBDENUM (11s,8p,7d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*MOQR7S-PDS(A1/71/61)
********************************************************************************
    12.0   3
* s-type functions
   11    1
      14940.00690000
       1969.95797000
        401.19567200
         37.95228630
         17.35635450
          6.72182947
          3.31913157
          1.36785764
       5721.70827e-4
       8074.13884e-5
       3177.00047e-5
  0.000678688665
  0.004719030410
  0.016276133600
 -0.071108405700
 -0.031732520100
  0.138598994000
  0.189110732000
 -0.215570975000
 -0.447757030000
  0.719817028000
  0.440429317000
* p-type functions
    8    2
        924.70456700
        211.56283800
         64.80113980
         10.03228740
          5.55190594
          1.11047044
          0.40127236
          0.07000000
  0.006855062650  0.000000000000
  0.043731732500  0.000000000000
  0.109924693000  0.000000000000
 -0.215458053000  0.000000000000
 -0.248139324000  0.000000000000
  0.691614322000  0.000000000000
  0.432794825000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        102.96717800
         29.05527430
          9.69215797
          1.26047835
       4432.07746e-4
       1392.47361e-4
          0.04320000
 -0.015584740900  0.000000000000
 -0.077889544500  0.000000000000
 -0.141385880000  0.000000000000
  0.363733774000  0.000000000000
  0.522556572000  0.000000000000
  0.328235068000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          1.89133482
          0.67827620
          0.29044592
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: MOQR7S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.1550000000e5  4.1530000000e4  8.8850000000e3  2.3730000000e3  7.1480000000e2  2.1540000000e2 86.370000000000 23.050000000000 10.582000000000  3.276000000000  1.304400000000
  0.032011391667  0.043986504167  0.083355675000  0.139326908333  0.174640208333  0.303045166667  0.390843641667  0.426068825000  0.688581100000  0.150228691667  0.067911885833
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.4799685000e3  2.1452368000e2 38.854436000000  5.798071500000
      31653.09400000
       5099.24800000
       1338.56590000
        447.62747000
        173.66226000
         53.70964700
         23.45802100
          7.89398810
          3.82837850
          1.32442460
          0.68045912
          0.30300000
  0.019945440000  0.006640823100  0.002866522600  0.001118139700
  0.094760936000  0.034452480000  0.014431712000  0.005677130900
  0.282212370000  0.107284700000  0.047210153000  0.018481951000
  0.451283170000  0.238706340000  0.104841630000  0.041671119000
  0.287100710000  0.166122290000  0.084341343000  0.033514697000
  0.028545938000 -0.510584380000 -0.365886060000 -0.156086280000
 -0.012149439000 -0.593518500000 -0.556251530000 -0.259480090000
  0.005070451200 -0.080021633000  0.538743790000  0.343172060000
 -0.001084972700  0.019820707000  0.719502610000  0.707670910000
  0.001481501500 -0.008048470500  0.075407626000 -0.419198580000
 -0.001589405500  0.004511331300 -0.015835516000 -0.756360600000
  0.000146587530 -0.001218907500  0.003268605500 -0.181120340000
   10    2
  1.9141078000e2 31.046202000000
       2543.18130000
        640.27157000
        223.91461000
         91.99439600
         41.69343100
         19.90641600
          9.71707740
          4.88346890
          2.43252860
          0.97300000
  0.008221443300  0.003622831700
  0.050064511000  0.022457137000
  0.174652820000  0.081861150000
  0.361565890000  0.180660550000
  0.395834240000  0.201236770000
  0.174949270000 -0.062978325000
  0.020346150000 -0.447292380000
  0.000718789120 -0.466504810000
 -0.000332577880 -0.146375320000
 -0.000031664284 -0.007180438800
    6    1
 18.321890000000
        197.87140000
         60.66900700
         23.37581900
          9.80451950
          4.23730000
          1.73700000
  0.017789954000
  0.101766100000
  0.288021930000
  0.437993990000
  0.332522010000
  0.078110683000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
MOQR7S-3D
End of Spectral Representation Operator

/Tc.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.13el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
TECHNETIUM (11s,8p,7d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*TCQR6S-PDS(A1/71/61)
********************************************************************************
    13.0   3
* s-type functions
   11    1
      15850.41150000
       2073.69243000
        423.48251700
         40.18090330
         20.00672370
          6.70380015
          3.38757955
          1.44843305
       6172.25332e-4
       8960.37949e-5
       3417.02986e-5
  0.000693326584
  0.004832194380
  0.016457081500
 -0.071041977600
 -0.029780702500
  0.160681379000
  0.169250861000
 -0.233804824000
 -0.429354640000
  0.688154742000
  0.473508768000
* p-type functions
    8    2
        981.54230500
        224.31433900
         68.69343450
         10.56887560
          5.90294343
          1.22645406
       4536.39428e-4
          0.07600000
  0.007060673790  0.000000000000
  0.045174580800  0.000000000000
  0.114182633000  0.000000000000
 -0.230885655000  0.000000000000
 -0.248412388000  0.000000000000
  0.698152787000  0.000000000000
  0.427319690000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        110.91179400
         31.36328280
         10.52651090
          1.44120907
       5392.32564e-4
       1840.92788e-4
          0.06580000
 -0.017252088700  0.000000000000
 -0.087116800400  0.000000000000
 -0.159042441000  0.000000000000
  0.384147272000  0.000000000000
  0.524818898000  0.000000000000
  0.275193349000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          2.28316084
          0.81879403
          0.35061732
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: TCQR6S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.0920000000e5  4.2870000000e4  9.4630000000e3  2.5720000000e3  7.8490000000e2  2.3740000000e2 94.590000000000 25.550000000000 11.615000000000  3.646000000000  1.462600000000
  0.030343486923  0.040172220769  0.075457240000  0.126100392308  0.159289238462  0.270453330769  0.369868084615  0.374184007692  0.656350930769  0.140440953846  0.065032427692
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.5575413000e3  2.2791038000e2 42.139554000000  6.602222700000
      35253.09400000
       5629.24800000
       1467.56590000
        487.62747000
        187.66226000
         57.00964700
         24.95802100
          8.45398810
          4.13837850
          1.45442460
          0.75445912
          0.34300000
  0.019116250000  0.006384476600  0.002771614600  0.001103812000
  0.090806832000  0.033160189000  0.013996459000  0.005630357800
  0.273931650000  0.103943780000  0.045965098000  0.018372409000
  0.449994690000  0.235993820000  0.104391580000  0.042427313000
  0.299886480000  0.174595610000  0.088331074000  0.035818083000
  0.031649886000 -0.503598010000 -0.363072820000 -0.158384230000
 -0.013821747000 -0.598031980000 -0.565100990000 -0.270572230000
  0.005987346000 -0.083109897000  0.528410170000  0.348454990000
 -0.001590014700  0.020955873000  0.728551030000  0.731843060000
  0.001878489100 -0.008549607400  0.079748114000 -0.421828700000
 -0.001910808800  0.004799905200 -0.016600018000 -0.766994580000
  0.000208255150 -0.001307016000  0.003428972500 -0.179013250000
   10    2
  2.0361419000e2 33.919693000000
       2543.18130000
        641.27157000
        224.81461000
         92.59439600
         42.05343100
         20.05641500
          9.84707740
          4.98746890
          2.49752860
          0.99900000
  0.008979375700  0.003988952200
  0.053989915000  0.024491360000
  0.184791170000  0.087583555000
  0.371862020000  0.188553410000
  0.389337310000  0.196384700000
  0.160309260000 -0.090232593000
  0.016070565000 -0.467453290000
  0.000761020190 -0.446770010000
 -0.000434958000 -0.126997740000
 -0.000016740783 -0.005673752800
    6    1
 20.599436000000
        196.67140000
         60.36900700
         23.36581900
          9.88451950
          4.34230000
          1.81400000
  0.020291337000
  0.112965710000
  0.305670710000
  0.439226410000
  0.308435250000
  0.066289332000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TCQR6S-3D
End of Spectral Representation Operator

/Ru.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.14el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
RUTHENIUM (11s,8p,7d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*RUQR5F-PDS(A1/71/61)
********************************************************************************
    14.0   3
* s-type functions
   11    1
      16917.15250000
       2197.22508000
        447.46941800
         42.11364560
         20.52792180
          7.27416070
          3.82240028
          1.49723475
       6507.37763e-4
       8852.15084e-5
       3363.41765e-5
  0.000668503753
  0.004664125090
  0.015870442500
 -0.069952941100
 -0.028338388800
  0.147123233000
  0.161075100000
 -0.230844126000
 -0.384290226000
  0.672392743000
  0.475274534000
* p-type functions
    8    2
       1040.33483000
        237.35592500
         72.66329720
         11.21018720
          6.38260303
          1.32555466
       4819.32772e-4
          0.07400000
  0.007151491140  0.000000000000
  0.045898343100  0.000000000000
  0.116521121000  0.000000000000
 -0.233963836000  0.000000000000
 -0.249757755000  0.000000000000
  0.703025494000  0.000000000000
  0.424768010000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        120.22527400
         34.07763790
         11.49486730
          1.56613219
       5592.74043e-4
       1752.51696e-4
          0.07280000
 -0.016490332400  0.000000000000
 -0.084466749000  0.000000000000
 -0.157297149000  0.000000000000
  0.386633296000  0.000000000000
  0.517189825000  0.000000000000
  0.306499651000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          2.69244083
          0.96557125
          0.41346907
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: RUQR5F-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.2770000000e5  4.6000000000e4  1.0270000000e4  2.8200000000e3  8.6490000000e2  2.5890000000e2  1.0216000000e2 28.010000000000 12.675000000000  4.019000000000  1.576100000000
  0.028083737857  0.036768183571  0.068559163571  0.114576485714  0.147736835714  0.246952792857  0.349363842857  0.331515992857  0.624812278571  0.132797407143  0.061690427143
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.6367307000e3  2.4116754000e2 44.963181000000  6.882493800000
      38053.09400000
       6019.24800000
       1559.56590000
        515.62747000
        197.66226000
         60.40964700
         26.45802100
          8.98398810
          4.42837850
          1.58442460
          0.80245912
          0.35400000
  0.018939932000  0.006361518100  0.002776866600  0.001115636700
  0.089975460000  0.032966399000  0.014009214000  0.005692266200
  0.272522000000  0.103861270000  0.046179242000  0.018621428000
  0.450960010000  0.236283290000  0.105234930000  0.043211927000
  0.301685670000  0.176395590000  0.089612745000  0.036629624000
  0.031723228000 -0.499262810000 -0.362407760000 -0.159647460000
 -0.013926858000 -0.601825750000 -0.572097140000 -0.277626340000
  0.005972986900 -0.085037915000  0.527174870000  0.355961790000
 -0.001421019900  0.021763538000  0.731141800000  0.742138200000
  0.001742206800 -0.008468768500  0.079021310000 -0.441000950000
 -0.001816239300  0.004458708700 -0.014466027000 -0.765519900000
  0.000166908950 -0.001213132600  0.003042511600 -0.172402690000
   10    2
  2.1563670000e2 36.321980000000
       2603.18130000
        657.27157000
        231.21461000
         95.49439600
         43.42343100
         20.67641600
         10.14707700
          5.13546890
          2.54652860
          0.91500000
  0.009434425400  0.004225637700
  0.056097583000  0.025689350000
  0.189436450000  0.090659140000
  0.376090840000  0.192820310000
  0.386283910000  0.194512090000
  0.153786340000 -0.105636410000
  0.014017858000 -0.483788720000
  0.000681439650 -0.435720040000
 -0.000468675690 -0.111018290000
 -0.000020073999 -0.003922117200
    6    1
 22.401454000000
        198.47140000
         60.86900700
         23.60581900
         10.04452000
          4.46330000
          1.88300000
  0.022416501000
  0.122733600000
  0.320834140000
  0.440038900000
  0.287640070000
  0.056196070000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
RUQR5F-3D
End of Spectral Representation Operator

/Rh.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.15el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
RHODIUM (11s,8p,7d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*RHQR4F-PDS(A1/71/61)
********************************************************************************
    15.0   3
* s-type functions
   11    1
      18024.02580000
       2323.24549000
        471.18285500
         44.23952970
         18.23299160
          9.28518095
          4.76860067
          1.50877278
       6851.53174e-4
       9127.51768e-5
       3418.78402e-5
  0.000656546958
  0.004587021010
  0.015604443200
 -0.070602085500
 -0.039858761600
  0.107495042000
  0.191382923000
 -0.227378213000
 -0.349392621000
  0.653871029000
  0.487477151000
* p-type functions
    8    2
       1102.08983000
        251.04737400
         76.81274260
         11.80368720
          6.80386691
          1.43845679
       5238.83821e-4
          0.07500000
  0.007268355070  0.000000000000
  0.046795685600  0.000000000000
  0.119424885000  0.000000000000
 -0.244239915000  0.000000000000
 -0.247823391000  0.000000000000
  0.707146655000  0.000000000000
  0.422239696000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        129.14566400
         36.68062820
         12.43422500
          1.72780654
       6217.45783e-4
       1956.65629e-4
          0.07620000
 -0.016818936800  0.000000000000
 -0.087010901700  0.000000000000
 -0.163717916000  0.000000000000
  0.394688195000  0.000000000000
  0.515007529000  0.000000000000
  0.297629395000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          3.13544427
          1.12444248
          0.48149962
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: RHQR4F1-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.4290000000e5  4.8160000000e4  1.0757000000e4  2.9590000000e3  9.1500000000e2  2.7720000000e2  1.0950000000e2 30.540000000000 13.743000000000  4.400000000000  1.714600000000
  0.026343455333  0.034474798000  0.064245998000  0.106875086667  0.136705726667  0.226416033333  0.328477813333  0.297319326667  0.595042906667  0.125351193333  0.058747653333
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.7183314000e3  2.5511758000e2 48.151055000000  7.430736000000
      40953.09400000
       6449.24800000
       1667.56590000
        549.62747000
        209.66226000
         64.00964700
         28.05802100
          9.60398810
          4.76837850
          1.72442460
          0.87245912
          0.38400000
  0.018779500000  0.006340994300  0.002781347000  0.001131254900
  0.088600929000  0.032584698000  0.013942281000  0.005739098600
  0.268776450000  0.102726790000  0.045892630000  0.018734315000
  0.450519120000  0.235257060000  0.105481970000  0.043881785000
  0.307088600000  0.180467310000  0.091759935000  0.037964304000
  0.032835387000 -0.493450310000 -0.360009580000 -0.160725060000
 -0.014567711000 -0.606101910000 -0.580494630000 -0.286218480000
  0.006258159900 -0.087491870000  0.515335710000  0.355998380000
 -0.001451667200  0.022289991000  0.741800060000  0.759844300000
  0.001823324400 -0.008489641500  0.082850490000 -0.440359450000
 -0.001903484300  0.004365735400 -0.014728197000 -0.771272180000
  0.000163566010 -0.001193178000  0.003111910000 -0.174328200000
   10    2
  2.2829003000e2 39.070918000000
       3033.18130000
        763.27157000
        268.01461000
        110.69440000
         50.40343100
         24.19641600
         11.83707700
          5.97846890
          2.97152860
          1.11800000
  0.008051382400  0.003639616400
  0.048523358000  0.022308248000
  0.168686560000  0.081038784000
  0.353091870000  0.180619500000
  0.397831530000  0.208427140000
  0.185587720000 -0.049293557000
  0.023436912000 -0.450405950000
  0.000346318610 -0.475714840000
 -0.000361161070 -0.142799250000
 -0.000069495081 -0.006214180800
    6    1
 24.536834000000
        199.67140000
         61.66900700
         24.18581900
         10.41451900
          4.68230000
          1.99300000
  0.024715030000
  0.130653220000
  0.328622900000
  0.437286220000
  0.274829100000
  0.050969707000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
RHQR4F1-3D
End of Spectral Representation Operator

/Pd.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.16el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
PALLADIUM (11s,8p,7d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*PDQR3D-PDS(A1/71/61)
********************************************************************************
    16.0   3
* s-type functions
   11    1
      19143.61820000
       2452.84267000
        496.22375300
         46.69192300
         21.08295890
          9.63844398
          5.12848505
          1.66291793
       7388.97076e-4
       9314.67975e-5
       3451.25302e-5
  0.000644466051
  0.004495697350
  0.015281921500
 -0.068180656500
 -0.033270438400
  0.095878059600
  0.190373471000
 -0.215993878000
 -0.340017478000
  0.641147069000
  0.493260928000
* p-type functions
    8    2
       1162.56250000
        264.61877200
         80.98508910
         12.47188030
          7.28442623
          1.55301271
       5663.06773e-4
          0.07700000
  0.007405123870  0.000000000000
  0.047715383700  0.000000000000
  0.122090852000  0.000000000000
 -0.250098350000  0.000000000000
 -0.249094313000  0.000000000000
  0.711177885000  0.000000000000
  0.419262512000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        138.30674800
         39.35687280
         13.40255250
          1.89538692
          0.68667140
       2170.61028e-4
          0.08380000
 -0.017080379100  0.000000000000
 -0.089154824400  0.000000000000
 -0.169323974000  0.000000000000
  0.401247684000  0.000000000000
  0.513018406000  0.000000000000
  0.290338805000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          3.61217115
          1.29540772
          0.55470896
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: PDQR3D-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.2870000000e5  4.7790000000e4  1.0906000000e4  3.0370000000e3  9.4280000000e2  2.8630000000e2  1.1369000000e2 31.490000000000 14.424000000000  4.534000000000  1.817500000000
  0.025696438125  0.032817888750  0.060775398750  0.100661668750  0.128688037500  0.215809275000  0.305715631250  0.288731650000  0.549498543750  0.114352481250  0.052252993750
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.8021072000e3  2.6949832000e2 51.435466000000  7.988634200000
      44553.09400000
       6949.24800000
       1784.56590000
        585.62747000
        222.66226000
         67.50964700
         29.65802100
         10.19398800
          5.09837850
          1.88442460
          0.94545912
          0.41400000
  0.018439366000  0.006252480900  0.002755392500  0.001133719500
  0.086976268000  0.032122467000  0.013833873000  0.005757047700
  0.265429150000  0.101640770000  0.045610385000  0.018835363000
  0.449497130000  0.234222630000  0.105673800000  0.044442697000
  0.312814250000  0.183797260000  0.093512557000  0.039163396000
  0.034624307000 -0.489446810000 -0.359437140000 -0.162593760000
 -0.015732116000 -0.608274270000 -0.586164100000 -0.292947560000
  0.006923398800 -0.089758711000  0.511243680000  0.360567390000
 -0.001791306900  0.023380187000  0.745213410000  0.774081780000
  0.002060755900 -0.008774483300  0.084715138000 -0.438167410000
 -0.002066884700  0.004344085900 -0.013520274000 -0.781694660000
  0.000178785580 -0.001193959600  0.002904726300 -0.175367480000
   10    2
  2.4131119000e2 41.900342000000
       3253.18130000
        817.27157000
        286.51461000
        118.29440000
         53.90343100
         25.93641500
         12.70707700
          6.43146890
          3.19852860
          1.19500000
  0.007828142700  0.003565534700
  0.047280672000  0.021889722000
  0.165349400000  0.079976422000
  0.349080370000  0.179680350000
  0.399000060000  0.211175820000
  0.191196170000 -0.040625705000
  0.025379989000 -0.446492110000
  0.000211202800 -0.481523310000
 -0.000359895940 -0.146103620000
 -0.000086652468 -0.006431916500
    6    1
 26.741491000000
        213.67140000
         66.16900700
         26.07581900
         11.29452000
          5.10230000
          2.17800000
  0.024211087000
  0.128355530000
  0.324577530000
  0.437092780000
  0.278422980000
  0.051948633000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PDQR3D-3D
End of Spectral Representation Operator

/Ag.CG-AIMP.Barandiaran.11s8p7d3f.1s2p2d1f.ECP.17el.
Z. Barandiaran, L. Seijo, S. Huzinaga. J. Chem. Phys. 93 (1990) 5843-5850. doi:10.1063/1.459580
SILVER (11s,8p,7d,3f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic  core[Zn] val[4p,5s,4d]     (11,11/711*/6111d)=3s3p4d recommended
*AGQR2S-PDS(A1/71/61)
********************************************************************************
    17.0   3
* s-type functions
   11    1
      20518.75760000
       2606.72686000
        524.12613000
         48.37225850
         18.15035200
         10.02657410
          4.85513422
          1.90540673
       7923.55078e-4
       9468.34963e-5
       3476.88842e-5
  0.000623423921
  0.004358661900
  0.014893217900
 -0.069852776500
 -0.044172259000
  0.136505409000
  0.173321718000
 -0.217002025000
 -0.333632479000
  0.628020129000
  0.500187283000
* p-type functions
    8    2
       1224.63380000
        278.57579100
         85.28367000
         13.14915150
          7.77386076
          1.67104585
       6097.77321e-4
          0.07800000
  0.007533934140  0.000000000000
  0.048561235100  0.000000000000
  0.124548510000  0.000000000000
 -0.256368497000  0.000000000000
 -0.249181527000  0.000000000000
  0.714491229000  0.000000000000
  0.416944485000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        147.70085700
         42.10173320
         14.39717500
          2.06877596
       7547.32186e-4
       2401.66827e-4
          0.08660000
 -0.017303581400  0.000000000000
 -0.091052335900  0.000000000000
 -0.174377818000  0.000000000000
  0.406790088000  0.000000000000
  0.511261271000  0.000000000000
  0.283491050000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    3    1
          4.12262147
          1.47846695
          0.63309709
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: AGQR2S-3D
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.3910000000e5  4.8800000000e4  1.1082000000e4  3.0870000000e3  9.5780000000e2  2.9260000000e2  1.1730000000e2 32.260000000000 15.067000000000  4.650000000000  1.916800000000
  0.024511188824  0.031565950588  0.058359524706  0.096090570588  0.121900635294  0.207275635294  0.283978541176  0.283887505882  0.505975300000  0.104837364706  0.046323661176
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.8880680000e3  2.8430635000e2 54.810175000000  8.550901800000
      48253.09400000
       7469.24800000
       1906.56590000
        622.62747000
        235.66226000
         71.30964700
         31.35802100
         10.86398800
          5.46837850
          2.05442460
          1.02845910
          0.44900000
  0.018166858000  0.006191106400  0.002739873900  0.001138973700
  0.085482973000  0.031683603000  0.013731438000  0.005769845400
  0.262229570000  0.100706880000  0.045373268000  0.018930775000
  0.449107130000  0.233345890000  0.105927040000  0.044978808000
  0.317811740000  0.187297210000  0.095344411000  0.040366889000
  0.035937230000 -0.484308350000 -0.357326220000 -0.163516810000
 -0.016567852000 -0.611707960000 -0.593540540000 -0.300160790000
  0.007356532000 -0.092075778000  0.499863500000  0.358457340000
 -0.001945529100  0.023924608000  0.754542630000  0.790635230000
  0.002230127500 -0.008820116600  0.088747924000 -0.425939290000
 -0.002193080000  0.004230460900 -0.013189638000 -0.793173250000
  0.000176832060 -0.001171335500  0.002863920700 -0.181818120000
   10    2
  2.5469332000e2 44.803178000000
       3563.18130000
        893.27157000
        312.91461000
        129.09440000
         58.77343100
         28.29641500
         13.83707700
          7.00046890
          3.48052860
          1.30300000
  0.007358528800  0.003376831500
  0.044565198000  0.020751682000
  0.157541380000  0.076615307000
  0.339956580000  0.175596370000
  0.402463880000  0.215853750000
  0.203699170000 -0.022013954000
  0.029466762000 -0.436000630000
  0.000064150091 -0.493473690000
 -0.000342000870 -0.155177560000
 -0.000110974790 -0.007132875700
    6    1
 29.007748000000
        229.07140000
         70.96900700
         27.99581900
         12.15451900
          5.50930000
          2.35900000
  0.023581713000
  0.126200890000
  0.322473130000
  0.438089030000
  0.279949270000
  0.052078278000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
AGQR2S-3D
End of Spectral Representation Operator

********************************************************************************
*         C.1.2.3. Lanthanum and Third Series Transition Metal Elements
********************************************************************************
*
* - diffuse d functions from extrapolation of the outermost exponents
*
* - f-orthogonality function is the 4f core orbital; the outermost primitive
*   is splitted in order to act as a polarization function.
*
********************************************************************************

/La.CG-AIMP.Casarrubios.13s10p8d.1s2p2d.ECP.9el.
M. Casarrubios, L. Seijo. J. Chem. Phys. 110 (1999) 784-796. doi:10.1063/1.478046
LANTHANUM (13s,10p,8d) -> [1s,2p,2d]
********************************************************************************
*relativistic core[Cd] val[5p,6s,5d] SO-corr (13,11/911*/711d)=3s3p3d recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
*LAQR2D-PDS(A3/91/71)-SO
********************************************************************************
     9.0   2
* s-type functions
   13    1
      36686.03180000
       4303.77718000
        839.60995800
         76.36175450
         33.35725240
         14.63661990
          7.77699857
          3.48321010
          1.79749128
       7353.59045e-4
          0.31330146
       4878.33949e-5
       2052.71051e-5
 -0.000388436672
 -0.002719709310
 -0.009017783370
  0.043399612300
  0.019082350600
 -0.108429333000
 -0.086748610600
  0.152890424000
  0.274052529000
 -0.197101340000
 -0.569942896000
  0.775668012000
  0.415814485000
* p-type functions
   10    2
       2016.48355000
        452.06376800
        137.77910000
         20.53733130
         10.71480700
          4.69709577
          2.55992828
       5182.03905e-4
          0.20092269
          0.03800000
 -0.003393576360  0.000000000000
 -0.021175814200  0.000000000000
 -0.056657413000  0.000000000000
  0.169211412000  0.000000000000
  0.093931024400  0.000000000000
 -0.190178157000  0.000000000000
 -0.398756053000  0.000000000000
  0.733115065000  0.000000000000
  0.406528944000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    8    2
        258.96207600
         74.94539570
         26.59191990
          5.54060810
          2.93754966
       3906.32614e-4
       1131.43505e-4
          0.03230000
  0.005428915730  0.000000000000
  0.030855380400  0.000000000000
  0.062252685900  0.000000000000
 -0.076114102500  0.000000000000
 -0.167820676000  0.000000000000
  0.546038474000  0.000000000000
  0.595556888000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: LAQR(2D)-[CD]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  3.8560000000e5  6.2550000000e4  1.5745000000e4  4.6690000000e3  1.5171000000e3  4.9180000000e2  1.9973000000e2 63.930000000000 30.803000000000  5.617000000000  2.873000000000
  1.064600000000  0.526200000000
  0.059079859000  0.067672194889  0.120322974444  0.193844038889  0.250600024444  0.409618584444  0.607406770000  0.480458585556  1.257812733333  1.125860144444  0.541191447778
  0.191409401111  0.028056573000
M2
  0
COREREP
 1.0
PROJOP
    2
   15    5
  2.8816695000e3  4.6675229000e2  1.0319024000e2 22.284838000000  3.642759500000
     121600.00000000
      17260.00000000
       4201.00000000
       1325.00000000
        485.70000000
        177.50000000
         85.25000000
         41.05000000
         16.06000000
          8.25400000
          3.48200000
          1.74700000
          0.31230000
          0.61390000
          0.14500000
  0.013978134000  0.005101717500  0.002298766900  0.001090331900  0.000441185140
  0.062456141000  0.023419680000  0.010859750000  0.005059329300  0.002060312000
  0.196625140000  0.078624597000  0.035880202000  0.017089535000  0.006917577100
  0.400592290000  0.188355430000  0.090890630000  0.042588561000  0.017386462000
  0.402737980000  0.254176930000  0.123989450000  0.060798693000  0.024638383000
  0.106008750000 -0.083033305000 -0.048831457000 -0.029186099000 -0.011685454000
 -0.023910763000 -0.596653210000 -0.533911620000 -0.279793360000 -0.117889240000
  0.002619860700 -0.429085140000 -0.414911430000 -0.260941130000 -0.111262090000
 -0.001102835500 -0.053492914000  0.720933560000  0.688344130000  0.325097130000
  0.007127388900  0.016152997000  0.594308630000  0.730061350000  0.376579580000
 -0.003397318200 -0.006693378800  0.059753086000 -0.779556510000 -0.566298800000
 -0.000717511050  0.002156576900 -0.007183681200 -0.713516410000 -0.754848030000
  0.000824159450  0.001195286900 -0.001327521800  0.009576247900  0.697787330000
 -0.000149589530 -0.001271140900  0.002603383100 -0.047882921000  0.639969970000
 -0.000022498533 -0.000200952300  0.000386196240 -0.001973273800  0.092833892000
   12    3
  4.1832319000e2 87.300998000000 16.894918000000
       2327.00000000
        575.40000000
        196.80000000
         77.98000000
         31.06000000
         14.23000000
          6.42000000
          3.13300000
          1.51300000
          0.61990000
          0.27650000
          0.11120000
  0.029891209000  0.014781110000  0.006887328100
  0.158383630000  0.080201812000  0.037159446000
  0.408081240000  0.226909340000  0.108404730000
  0.457167890000  0.233363860000  0.106696180000
  0.136848380000 -0.287119250000 -0.198681630000
 -0.012880063000 -0.646341840000 -0.487326120000
  0.007416565800 -0.214393580000  0.107891040000
 -0.003832686000  0.001316658600  0.702018580000
  0.003138776900 -0.004403511400  0.346666600000
 -0.001424464600  0.001539488300  0.026459055000
  0.000228364780 -0.000956193330 -0.001772355000
 -0.000193761340  0.000162892260  0.000272926600
    8    2
 64.299731000000  8.813133800000
        334.60000000
        103.20000000
         40.50000000
         17.56000000
          7.98600000
          3.67900000
          1.67700000
          0.70920000
  0.029148935000  0.013250518000
  0.154582740000  0.072457252000
  0.378585310000  0.176789980000
  0.448617750000  0.183247940000
  0.195839080000 -0.142998240000
  0.018735311000 -0.514790800000
  0.000460486000 -0.412404830000
 -0.000309389850 -0.090423018000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
LAQR(2D)-[CD]
End of Spectral Representation Operator

/Hf.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.10el.
M. Casarrubios, L. Seijo. J. Chem. Phys. 110 (1999) 784-796. doi:10.1063/1.478046
HAFNIUM (13s,10p,9d,5f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
*HFQR3F-PDS(A3/91/81/5)-SO
********************************************************************************
    10.0   3
* s-type functions
   13    1
     612230.74600000
      51986.41300000
       7729.48073000
       1546.07092000
        130.93835600
        130.05179800
         22.13444280
          6.61835454
          3.40434000
          1.30498907
       5415.56637e-4
       8406.89776e-5
       3306.55748e-5
 -0.000084335509
 -0.000590717815
 -0.003029200910
 -0.009423409740
  0.051830778100
 -0.001024904040
 -0.156974021000
  0.127188531000
  0.243319910000
 -0.214412837000
 -0.485885389000
  0.695700032000
  0.481490293000
* p-type functions
   10    2
       3724.39538000
        811.71192800
        243.68807400
         37.38736500
         17.12985780
         12.76489240
          5.33766394
       9383.39958e-4
          0.34733897
          0.05900000
 -0.002591127800  0.000000000000
 -0.022459517000  0.000000000000
 -0.061303499500  0.000000000000
  0.178855118000  0.000000000000
  0.195863485000  0.000000000000
 -0.226086927000  0.000000000000
 -0.437182834000  0.000000000000
  0.711841975000  0.000000000000
  0.417659668000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        506.90840800
        146.35115800
         52.63320590
          9.73058859
          4.99602099
       9368.23162e-4
          0.32906081
       1034.92418e-4
          0.03250000
  0.004184429410  0.000000000000
  0.025760205900  0.000000000000
  0.056627177900  0.000000000000
 -0.104468933000  0.000000000000
 -0.108512187000  0.000000000000
  0.323149704000  0.000000000000
  0.534085453000  0.000000000000
  0.364926191000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         48.53704200
         15.26393600
          5.47946720
          1.94765400
          0.62553200
  0.108456240000
  0.348345140000
  0.471965000000
  0.347568300000
  0.124737680000
********************************************************************************
* Core AIMP: HFQR(3F)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.2179842000e5  1.4817570000e5  4.9294148000e4  1.7937096000e4  6.9662082000e3  2.7984249000e3  1.1112198000e3  4.8740332000e2  2.3578135000e2 85.780084000000 51.392171000000
 11.725106000000  5.876293000000  2.297822000000  0.967737000000
  0.054558293000  0.044019284000  0.070146144000  0.109187880000  0.157065820000  0.197204060000  0.280215260000  0.494065300000  0.371207240000  0.731652640000  0.891493320000
  1.312678500000  0.987941770000  0.421681030000  0.076883427000
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  4.8434445000e3  8.3854377000e2  1.9533832000e2 41.571148000000  5.898307100000
     571980.75000000
      70671.44800000
      15349.62900000
       4420.98010000
       1522.32160000
        593.93058000
        204.11991000
         90.93768100
         33.43857300
         17.78180000
          7.10207250
          3.57799630
          1.25829250
          0.65790000
          0.30103000
  0.009086659900  0.003560466600  0.001675794100  0.000823012880  0.000325817620
  0.035588671000  0.013949998000  0.006704035100  0.003252143100  0.001281021200
  0.112366500000  0.047237556000  0.022416692000  0.011058670000  0.004383732100
  0.276286820000  0.121607730000  0.059790828000  0.029103022000  0.011469448000
  0.426173960000  0.237327290000  0.117678200000  0.058936482000  0.023456063000
  0.296627230000  0.155474900000  0.083217621000  0.040156590000  0.015729842000
  0.032886142000 -0.453384430000 -0.378905060000 -0.207049230000 -0.083664464000
 -0.024150211000 -0.627342280000 -0.648119410000 -0.400595630000 -0.167701730000
  0.008950908300 -0.112367180000  0.503413920000  0.520188710000  0.244704420000
  0.004916619100  0.035108125000  0.775598650000  0.920807440000  0.447090190000
 -0.000003383700 -0.012658525000  0.102302370000 -0.681242470000 -0.480505370000
 -0.004794640400  0.004208257700 -0.017668543000 -0.789514340000 -0.765495500000
  0.001014998100 -0.002863424700  0.006342879500 -0.066299896000  0.430881320000
  0.000570983600  0.002496300700 -0.003217133600  0.014349287000  0.773600710000
  0.000325884710 -0.000339016560  0.000932356520 -0.002652908200  0.181894360000
   12    3
  7.3788700000e2  1.6459225000e2 31.264030000000
      14630.51400000
       3456.32300000
       1162.75480000
        465.71436000
        207.23324000
         98.68592100
         47.80435600
         24.53194100
         12.62083200
          6.48031600
          3.26811030
          1.49950000
  0.004755410200  0.002453325200  0.001185658400
  0.028210387000  0.014649565000  0.007096922200
  0.107041980000  0.057629296000  0.028135061000
  0.270446270000  0.152576160000  0.075413580000
  0.409978650000  0.246039370000  0.123410660000
  0.297924020000  0.096765807000  0.034727506000
  0.068262423000 -0.379009360000 -0.284517840000
 -0.004231725500 -0.551953280000 -0.442312090000
  0.000103635850 -0.197137840000  0.113728810000
  0.001114892600 -0.013225655000  0.640324300000
  0.001303392100 -0.000607098470  0.405059210000
  0.000112613900  0.000245750850  0.051703165000
   10    2
  1.2724909000e2 17.538704000000
       1837.08140000
        565.70939000
        223.65406000
         99.13248000
         46.72148600
         22.99263300
         11.30913100
          5.51887500
          2.62550000
          1.13000000
  0.003118911300  0.001560182700
  0.023221616000  0.011443308000
  0.098901540000  0.050323837000
  0.265519470000  0.135586730000
  0.415678700000  0.206059360000
  0.317918570000  0.054734588000
  0.088305495000 -0.333509360000
  0.004860231200 -0.499520870000
  0.000396240180 -0.273969070000
 -0.000061943517 -0.043442891000
    5    1
  2.270062600000
         48.53704200
         15.26393600
          5.47946720
          1.94765400
          0.62553200
  0.108456240000
  0.348345140000
  0.471965000000
  0.347568300000
  0.124737680000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
HFQR(3F)-[CD]4F
End of Spectral Representation Operator

/Ta.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.11el.
M. Casarrubios, L. Seijo. J. Chem. Phys. 110 (1999) 784-796. doi:10.1063/1.478046
TANTALUM (13s,10p,9d,5f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
*TAQR4F-PDS(A3/91/81/5)-SO
********************************************************************************
    11.0   3
* s-type functions
   13    1
     630245.88000000
      53145.53440000
       7866.75709000
       1579.33463000
        141.92024800
         68.93983050
         27.91370910
         22.21234680
          5.11681751
          4.79673822
       7311.89725e-4
       7994.15264e-5
       3072.52372e-5
 -0.000090883165
 -0.000634177003
 -0.003231114820
 -0.009800980120
  0.047187258000
  0.012061413600
 -0.064139670600
 -0.096745988700
  0.204773553000
  0.106174347000
 -0.614568071000
  0.801490700000
  0.346434891000
* p-type functions
   10    2
       3876.07901000
        842.31545700
        252.29308700
         38.89207060
         19.51911260
         13.69789600
          5.69249620
       9927.91549e-4
       3692.84461e-4
          0.06500000
 -0.002619130740  0.000000000000
 -0.023079813300  0.000000000000
 -0.063168721900  0.000000000000
  0.178911300000  0.000000000000
  0.158268434000  0.000000000000
 -0.165842607000  0.000000000000
 -0.465792517000  0.000000000000
  0.729002135000  0.000000000000
  0.400926435000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        524.15105300
        151.36468000
         54.52160470
         10.20420260
          5.25613975
          1.02355977
       3732.50196e-4
       1214.85336e-4
          0.03950000
  0.004640419130  0.000000000000
  0.028435069600  0.000000000000
  0.062379415700  0.000000000000
 -0.113780814000  0.000000000000
 -0.120556240000  0.000000000000
  0.343171956000  0.000000000000
  0.535740277000  0.000000000000
  0.331114082000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         53.46524200
         16.95393600
          6.17855720
          2.24551400
          0.74179200
  0.101126390000
  0.336910560000
  0.472491420000
  0.353353760000
  0.122884120000
********************************************************************************
* Core AIMP: TAQR(4F)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.4363575000e5  1.5418480000e5  5.1514932000e4  1.8816654000e4  7.3440541000e3  2.9777621000e3  1.1948493000e3  5.2382098000e2  2.5531879000e2 91.950204000000 54.355705000000
 12.323005000000  6.290440900000  2.527589800000  1.103188000000
  0.049671954545  0.039857181818  0.063370293636  0.098387590909  0.140950863636  0.176378509091  0.246950109091  0.438969672727  0.352688045455  0.624047890909  0.863053818182
  1.181500363636  0.911425909091  0.378344854545  0.070766551818
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  4.9974513000e3  8.6901204000e2  2.0344234000e2 43.766128000000  6.393241000000
     615968.91000000
      75405.84400000
      16263.71300000
       4658.78740000
       1596.48720000
        619.93882000
        212.46626000
         94.58056200
         34.83153400
         18.54652700
          7.42807000
          3.76199500
          1.33948450
          0.70371100
          0.32100000
  0.009098857000  0.003579374000  0.001688747600  0.000831645240  0.000334452130
  0.035355718000  0.013924890000  0.006701259900  0.003262686900  0.001306045200
  0.111149910000  0.046915813000  0.022319119000  0.011040499000  0.004445850100
  0.273690040000  0.120806150000  0.059460753000  0.029048218000  0.011634005000
  0.425889310000  0.236639080000  0.117561770000  0.059017286000  0.023858062000
  0.301126060000  0.158008070000  0.084330995000  0.040893257000  0.016289682000
  0.034226755000 -0.449131610000 -0.375868640000 -0.206288000000 -0.084751014000
 -0.025105492000 -0.630030750000 -0.651346690000 -0.403520240000 -0.171665860000
  0.009262592800 -0.114310470000  0.495527770000  0.515050080000  0.246611190000
  0.005104086900  0.035893415000  0.781013480000  0.929924230000  0.459872980000
  0.000097936057 -0.013010538000  0.104899240000 -0.670818480000 -0.483393660000
 -0.005112035300  0.004312053800 -0.018328206000 -0.799198220000 -0.792238550000
  0.001103227000 -0.002969178400  0.006550638300 -0.068383011000  0.443892930000
  0.000601031640  0.002592190200 -0.003264269700  0.014489844000  0.779625920000
  0.000336997780 -0.000341955870  0.000936157980 -0.002621250400  0.176700380000
   12    3
  7.6332936000e2  1.7131357000e2 32.998538000000
      15460.04500000
       3643.26020000
       1223.77090000
        489.30791000
        217.45217000
        103.48597000
         50.13630000
         25.74292400
         13.26360900
          6.81624450
          3.44641090
          1.59010000
  0.004658755900  0.002410339500  0.001170048800
  0.027538921000  0.014341282000  0.006974917000
  0.104724760000  0.056503393000  0.027701598000
  0.266506280000  0.150585720000  0.074707146000
  0.408802120000  0.245753720000  0.123805840000
  0.302919000000  0.103678220000  0.038828436000
  0.071614357000 -0.369877970000 -0.279269660000
 -0.004299588300 -0.555302060000 -0.447582550000
  0.000070564801 -0.203949580000  0.100509820000
  0.001128582000 -0.014313692000  0.640171330000
  0.001383856700 -0.000565802760  0.412476670000
  0.000119518700  0.000270339020  0.053116981000
   10    2
  1.3278240000e2 18.784646000000
       1938.41010000
        596.78959000
        235.97060000
        104.64566000
         49.39359700
         24.35619400
         12.02242700
          5.88870400
          2.81760000
          1.22600000
  0.002999923000  0.001510177500
  0.022364089000  0.011108998000
  0.095856325000  0.049100843000
  0.259889470000  0.133797280000
  0.412860690000  0.206758600000
  0.323844410000  0.064003262000
  0.093698064000 -0.323062920000
  0.005601892800 -0.502106170000
  0.000383964750 -0.281699120000
 -0.000076245861 -0.045300708000
    5    1
  2.944202800000
         53.46524200
         16.95393600
          6.17855720
          2.24551400
          0.74179200
  0.101126390000
  0.336910560000
  0.472491420000
  0.353353760000
  0.122884120000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TAQR(4F)-[CD]4F
End of Spectral Representation Operator

/W.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.12el.
M. Casarrubios, L. Seijo. J. Chem. Phys. 110 (1999) 784-796. doi:10.1063/1.478046
TUNGSTEN (13s,10p,9d,5f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
*WQR5D-PDS(A3/91/81/5)-SO
********************************************************************************
    12.0   3
* s-type functions
   13    1
     679966.96600000
      57095.38250000
       8332.63645000
       1650.71419000
        149.08843300
         55.40877920
         35.49844660
         21.98907770
          5.04955044
          1.04482229
          0.59687334
       9824.48711e-5
       3746.28949e-5
 -0.000093412565
 -0.000646345030
 -0.003317884450
 -0.010130678600
  0.047414413100
  0.040003328700
 -0.091574686300
 -0.099343367300
  0.336145378000
 -0.308537645000
 -0.360320199000
  0.710997564000
  0.467179909000
* p-type functions
   10    2
       4040.96631000
        876.24096700
        261.96888600
         39.97278200
         19.62336510
         13.97294910
          5.91243020
          1.06369417
       3989.44668e-4
          0.06900000
 -0.002601839240  0.000000000000
 -0.023615623300  0.000000000000
 -0.065000243000  0.000000000000
  0.188695376000  0.000000000000
  0.163014235000  0.000000000000
 -0.179795406000  0.000000000000
 -0.475253435000  0.000000000000
  0.734677323000  0.000000000000
  0.398649162000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        544.78805100
        157.30636400
         56.66828410
         10.58872470
          5.46325839
          1.11766062
          0.41887444
       1392.23001e-4
          0.04630000
  0.004955001530  0.000000000000
  0.030492955500  0.000000000000
  0.067274761400  0.000000000000
 -0.124250007000  0.000000000000
 -0.128096782000  0.000000000000
  0.355920539000  0.000000000000
  0.535570437000  0.000000000000
  0.310825630000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         58.29124200
         18.61193600
          6.86612720
          2.54062400
          0.85799500
  0.095422363000
  0.327623580000
  0.472872890000
  0.357926370000
  0.121119030000
********************************************************************************
* Core AIMP: WQR(5D)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.6056972000e5  1.5808301000e5  5.2764718000e4  1.9274806000e4  7.5581592000e3  3.0923059000e3  1.2531988000e3  5.5211072000e2  2.7089245000e2 97.613184000000 57.192361000000
 12.964546000000  6.753919000000  2.769870000000  1.232576000000
  0.045852562500  0.036836336667  0.058582359167  0.090622958333  0.128513275000  0.160042625000  0.222702308333  0.395806725000  0.330151966667  0.544315766667  0.824976991667
  1.064275083333  0.852047416667  0.346025091667  0.065915195000
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  5.1545874000e3  9.0024094000e2  2.1178732000e2 46.044379000000  6.896476100000
     656919.84000000
      79945.84800000
      17156.97500000
       4891.96460000
       1669.36890000
        645.76461000
        220.99941000
         98.31109900
         36.28334700
         19.34325200
          7.76799760
          3.95698130
          1.42818260
          0.75249000
          0.34233900
  0.009173220900  0.003623025200  0.001713353300  0.000846158590  0.000345332590
  0.035278273000  0.013963442000  0.006728958200  0.003288325800  0.001336303400
  0.110294880000  0.046748576000  0.022293628000  0.011059104000  0.004519332300
  0.271671630000  0.120316950000  0.059285247000  0.029070194000  0.011819934000
  0.425494320000  0.236047190000  0.117493380000  0.059132255000  0.024257022000
  0.304718610000  0.159837680000  0.085072304000  0.041440466000  0.016767104000
  0.035406084000 -0.445214410000 -0.373098600000 -0.205673450000 -0.085823827000
 -0.026016694000 -0.632341590000 -0.654229830000 -0.406310270000 -0.175485420000
  0.009538786300 -0.116184550000  0.487057120000  0.509212670000  0.247924270000
  0.005328283000  0.036599242000  0.786811620000  0.939698710000  0.472855150000
  0.000202197450 -0.013332286000  0.107773630000 -0.659314800000 -0.485108520000
 -0.005442660100  0.004402413400 -0.019088867000 -0.809526080000 -0.819121130000
  0.001187164800 -0.003065991400  0.006776597300 -0.070702347000  0.453988500000
  0.000636119390  0.002677378900 -0.003309569400  0.014549588000  0.786066340000
  0.000350201030 -0.000341039080  0.000942374880 -0.002588647000  0.173728390000
   12    3
  7.8928367000e2  1.7821248000e2 34.794671000000
      16154.55800000
       3799.00870000
       1275.97360000
        510.82167000
        227.27673000
        108.22544000
         52.41726600
         26.92484700
         13.88497300
          7.14145180
          3.62001140
          1.67670000
  0.004637074200  0.002406135100  0.001173270500
  0.027298064000  0.014256777000  0.006962412300
  0.103425770000  0.055945017000  0.027548206000
  0.263220010000  0.148997730000  0.074212898000
  0.406904960000  0.245067560000  0.124007300000
  0.306878150000  0.109125380000  0.042107125000
  0.074618960000 -0.362524010000 -0.275460230000
 -0.004470131800 -0.557987510000 -0.452144250000
  0.000087503935 -0.209319040000  0.090804278000
  0.001128465700 -0.015122994000  0.640917930000
  0.001467971100 -0.000527793700  0.417433940000
  0.000122488450  0.000297367480  0.053656669000
   10    2
  1.3845872000e2 20.077479000000
       2003.84450000
        616.84142000
        244.37298000
        108.67162000
         51.41533200
         25.40428600
         12.57845100
          6.18827600
          2.98040000
          1.30900000
  0.003007157200  0.001524735900
  0.022347213000  0.011188615000
  0.095310508000  0.049193001000
  0.258095760000  0.133923680000
  0.411529420000  0.207804580000
  0.325087110000  0.066515566000
  0.095428605000 -0.320223140000
  0.005915782300 -0.502662390000
  0.000356134050 -0.283095440000
 -0.000087186755 -0.045214482000
    5    1
  3.658058900000
         58.29124200
         18.61193600
          6.86612720
          2.54062400
          0.85799500
  0.095422363000
  0.327623580000
  0.472872890000
  0.357926370000
  0.121119030000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
WQR(5D)-[CD]4F
End of Spectral Representation Operator

/Re.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.13el.
M. Casarrubios, L. Seijo. J. Chem. Phys. 110 (1999) 784-796. doi:10.1063/1.478046
RHENIUM (13s,10p,9d,5f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
*REQR6S-PDS(A3/91/81/5)-SO
********************************************************************************
    13.0   3
* s-type functions
   13    1
     711410.56700000
      59280.68730000
       8622.05996000
       1713.65708000
        153.43682300
         57.23441010
         34.85998880
         22.83522950
          5.27231447
          1.09203758
       6231.35828e-4
       1063.88272e-4
       4004.38894e-5
 -0.000097392890
 -0.000670010143
 -0.003414931450
 -0.010263991200
  0.049157820900
  0.033764922500
 -0.093341868300
 -0.095702785900
  0.345776657000
 -0.346728182000
 -0.328816560000
  0.699313022000
  0.480419965000
* p-type functions
   10    2
       4194.30101000
        907.84651700
        271.11768300
         41.08718830
         19.81780160
         13.76058870
          6.12123430
          1.13455944
       4272.99324e-4
          0.07300000
 -0.002611718820  0.000000000000
 -0.024201029800  0.000000000000
 -0.066704280800  0.000000000000
  0.198948274000  0.000000000000
  0.150895817000  0.000000000000
 -0.182136260000  0.000000000000
 -0.479117483000  0.000000000000
  0.742259270000  0.000000000000
  0.394645954000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        561.82872000
        162.34507700
         58.63737600
         11.05890640
          5.73794038
          1.20660655
       4621.33022e-4
       1569.42224e-4
          0.05330000
  0.005339225380  0.000000000000
  0.032527251500  0.000000000000
  0.071511170000  0.000000000000
 -0.131382663000  0.000000000000
 -0.136480712000  0.000000000000
  0.369670400000  0.000000000000
  0.534424082000  0.000000000000
  0.290934964000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         63.04834200
         20.24913600
          7.54641720
          2.83438400
          0.97430700
  0.090861845000
  0.319953200000
  0.473194080000
  0.361582940000
  0.119418270000
********************************************************************************
* Core AIMP: REQR(6S)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.0646062000e5  1.5041320000e5  5.1621508000e4  1.9261386000e4  7.6725002000e3  3.1787129000e3  1.3041438000e3  5.7885242000e2  2.8569545000e2  1.0306928000e2 59.915941000000
 13.577136000000  7.178957000000  2.996053000000  1.350841000000
  0.044657999231  0.034627073077  0.054474319231  0.083619176923  0.117736446154  0.146094600000  0.202641115385  0.359839400000  0.309644861538  0.483986846154  0.784819384615
  0.974586461538  0.795604076923  0.316290607692  0.060608383077
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  5.3148948000e3  9.3223514000e2  2.2036583000e2 48.395472000000  7.402321000000
     694496.44000000
      84301.98900000
      18015.47500000
       5116.21180000
       1740.13220000
        671.12366000
        229.70991000
        102.12700000
         37.78453200
         20.16729800
          8.12284740
          4.16263250
          1.52393960
          0.80407001
          0.36507000
  0.009299446600  0.003687679300  0.001747892400  0.000865715860  0.000358137680
  0.035344316000  0.014061517000  0.006785290500  0.003328291100  0.001371468200
  0.109881230000  0.046771890000  0.022358032000  0.011122958000  0.004607457400
  0.270258020000  0.120152800000  0.059272423000  0.029173462000  0.012028147000
  0.424997480000  0.235561950000  0.117476820000  0.059279705000  0.024648183000
  0.307374160000  0.160939340000  0.085432466000  0.041793939000  0.017152857000
  0.036324629000 -0.441695000000 -0.370656210000 -0.205241400000 -0.086883903000
 -0.026823574000 -0.634260120000 -0.656708040000 -0.408895090000 -0.179089060000
  0.009738370900 -0.118007540000  0.478512130000  0.503184080000  0.248835360000
  0.005620209100  0.037285268000  0.792555930000  0.949696480000  0.485707150000
  0.000287173110 -0.013652902000  0.110777140000 -0.647018140000 -0.485620270000
 -0.005770872900  0.004491814300 -0.019875231000 -0.820388130000 -0.845785290000
  0.001258297800 -0.003161755100  0.006994107200 -0.073225688000  0.461057930000
  0.000680576980  0.002757807300 -0.003340351300  0.014539783000  0.792961120000
  0.000364562290 -0.000337852550  0.000948231230 -0.002556190000  0.172755630000
   12    3
  8.1574263000e2  1.8527852000e2 36.641340000000
      17151.14500000
       4023.27000000
       1348.53630000
        538.69126000
        239.18079000
        113.71857000
         55.07245300
         28.28873400
         14.60328900
          7.51100410
          3.81371200
          1.77040000
  0.004508467600  0.002345558900  0.001149057800
  0.026460271000  0.013856467000  0.006794305100
  0.100585140000  0.054506654000  0.026957418000
  0.258376840000  0.146431520000  0.073210754000
  0.405527020000  0.244541440000  0.124298610000
  0.312861900000  0.117236560000  0.046991288000
  0.078748766000 -0.351374340000 -0.268621130000
 -0.004425748900 -0.561770370000 -0.457996360000
  0.000010311248 -0.217487410000  0.075440999000
  0.001152138900 -0.016464413000  0.641263320000
  0.001552370700 -0.000470934930  0.425505820000
  0.000130529650  0.000322963330  0.054816978000
   10    2
  1.4426654000e2 21.406545000000
       2128.39560000
        653.93190000
        258.62738000
        114.89151000
         54.37026200
         26.88684700
         13.33903600
          6.58066000
          3.18300000
          1.40700000
  0.002851557500  0.001456213500
  0.021324293000  0.010758670000
  0.091931490000  0.047777634000
  0.252216180000  0.131923040000
  0.408867530000  0.208665560000
  0.331440350000  0.075779409000
  0.101025120000 -0.310465200000
  0.006670072000 -0.505528940000
  0.000348120990 -0.289990600000
 -0.000102764590 -0.046609563000
    5    1
  4.402071600000
         63.04834200
         20.24913600
          7.54641720
          2.83438400
          0.97430700
  0.090861845000
  0.319953200000
  0.473194080000
  0.361582940000
  0.119418270000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
REQR(6S)-[CD]4F
End of Spectral Representation Operator

/Os.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.14el.
M. Casarrubios, L. Seijo. J. Chem. Phys. 110 (1999) 784-796. doi:10.1063/1.478046
OSMIUM (13s,10p,9d,5f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
*OSQR5D-PDS(A3/91/81/5)-SO
********************************************************************************
    14.0   3
* s-type functions
   13    1
     738398.85700000
      61061.62360000
       8783.57688000
       1767.53637000
        158.73696600
         58.32845880
         35.37162130
         23.21864620
          5.49616694
          1.17973143
       6840.36988e-4
       1145.40707e-4
       4276.15397e-5
 -0.000101076215
 -0.000693843285
 -0.003550075300
 -0.010225969000
  0.050171898800
  0.034903757900
 -0.103978614000
 -0.090541356900
  0.357830296000
 -0.341897332000
 -0.341928303000
  0.699088071000
  0.480753279000
* p-type functions
   10    2
       4358.90549000
        941.22613600
        280.59673300
         42.35705480
         20.57947350
         13.78369730
          6.36676695
          1.20664829
       4559.49141e-4
          0.07700000
 -0.002613709470  0.000000000000
 -0.024766073700  0.000000000000
 -0.068431808800  0.000000000000
  0.206311381000  0.000000000000
  0.137323196000  0.000000000000
 -0.175642122000  0.000000000000
 -0.486946526000  0.000000000000
  0.751293654000  0.000000000000
  0.388825287000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        582.69229900
        168.35394200
         60.84594000
         11.48626660
          6.00716590
          1.29907910
       4997.74274e-4
       1687.65745e-4
          0.05700000
  0.005446858600  0.000000000000
  0.034040386000  0.000000000000
  0.075140017600  0.000000000000
 -0.138481977000  0.000000000000
 -0.141675476000  0.000000000000
  0.380751354000  0.000000000000
  0.530655116000  0.000000000000
  0.284833285000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         67.87353300
         21.91277700
          8.23943330
          3.13545000
          1.09512000
  0.086894155000
  0.313010290000
  0.473318940000
  0.364999200000
  0.117998580000
********************************************************************************
* Core AIMP: OSQR(5D)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.7462162000e5  1.6659020000e5  5.7046608000e4  2.1245686000e4  8.4421202000e3  3.4784429000e3  1.4177438000e3  6.2149442000e2  3.0515745000e2  1.0916328000e2 62.712141000000
 14.190936000000  7.588817000000  3.207963000000  1.461971000000
  0.040121949286  0.031199622857  0.049075884286  0.075465342857  0.107381178571  0.135275521429  0.184299292857  0.329413678571  0.299992864286  0.433427785714  0.750952857143
  0.901255714286  0.746047785714  0.289717142857  0.054944805714
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  5.4784747000e3  9.6505756000e2  2.2922698000e2 50.864562000000  7.953277800000
     739572.32000000
      85547.84800000
      15528.03500000
       4050.34700000
       1336.53900000
        496.41134000
        213.32262000
         95.75985200
         42.97426400
         21.37614400
          9.31563290
          4.61072780
          1.81054820
          0.93892744
          0.41508120
  0.009178588100  0.003617233000  0.001724912600  0.000854302310  0.000359045400
  0.039842909000  0.016146049000  0.007759308100  0.003836273900  0.001598839300
  0.142538350000  0.060547242000  0.029230075000  0.014521346000  0.006108651500
  0.340073780000  0.159233420000  0.078536856000  0.039055573000  0.016282506000
  0.453491730000  0.261120840000  0.133224250000  0.067244112000  0.028517206000
  0.208503620000  0.072110458000  0.032162804000  0.014731840000  0.005399273600
 -0.013915442000 -0.536074740000 -0.447558680000 -0.251754980000 -0.107120770000
 -0.006658963200 -0.551136740000 -0.626587620000 -0.398787320000 -0.180600460000
 -0.002195714700 -0.074559101000  0.484786880000  0.468200730000  0.235930600000
  0.015218918000  0.006720321500  0.830686470000  1.051801500000  0.543524170000
 -0.004325752300  0.000021770588  0.115193820000 -0.550146980000 -0.396752370000
 -0.003307263800 -0.003656934700 -0.009198316600 -0.919882460000 -0.960553450000
 -0.000670635340  0.000528922950  0.002693844000 -0.092012084000  0.310963510000
  0.001855941500  0.000587554940 -0.000683021520  0.011315359000  0.898887800000
  0.000218898780  0.000259179690  0.000363743800 -0.001805191500  0.217550920000
   12    3
  8.4275653000e2  1.9255752000e2 38.582676000000
      17826.90900000
       4175.56860000
       1398.28860000
        558.20089000
        247.79934000
        117.83680000
         57.10601700
         29.36051000
         15.17484000
          7.81355980
          3.97843250
          1.85072200
  0.004518798900  0.002357455600  0.001159957100
  0.026391190000  0.013860263000  0.006825922300
  0.100166160000  0.054419931000  0.027032619000
  0.257390990000  0.146203190000  0.073412502000
  0.404896700000  0.244564640000  0.124841630000
  0.314120940000  0.118859040000  0.048037785000
  0.079798785000 -0.349120770000 -0.268699580000
 -0.004545379500 -0.562145970000 -0.460509770000
 -0.000031866672 -0.219440650000  0.072891570000
  0.001211165500 -0.016788010000  0.643398490000
  0.001608084100 -0.000407888400  0.426018420000
  0.000134532970  0.000346111180  0.053995581000
   10    2
  1.5025063000e2 22.815668000000
       1581.61760000
        490.98932000
        197.53904000
         90.06707300
         43.96605100
         22.36507000
         11.44001900
          5.81143910
          2.89060030
          1.30410000
  0.005551511000  0.002839303600
  0.038003954000  0.019481961000
  0.141907890000  0.074727930000
  0.317504390000  0.167237500000
  0.407275880000  0.195903460000
  0.247241750000 -0.031691621000
  0.055819027000 -0.388482340000
  0.002765846700 -0.465807570000
  0.000045646427 -0.217648920000
 -0.000041799471 -0.028223420000
    5    1
  5.220774500000
         67.87353300
         21.91277700
          8.23943330
          3.13545000
          1.09512000
  0.086894155000
  0.313010290000
  0.473318940000
  0.364999200000
  0.117998580000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
OSQR(5D)-[CD]4F
End of Spectral Representation Operator

/Ir.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.15el.
M. Casarrubios, L. Seijo. J. Chem. Phys. 110 (1999) 784-796. doi:10.1063/1.478046
IRIDIUM (13s,10p,9d,5f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
*IRQR4F-PDS(A3/91/81/5)-SO
********************************************************************************
    15.0   3
* s-type functions
   13    1
     786802.30000000
      64316.67760000
       9137.22799000
       1833.03866000
        164.85150600
         59.37377460
         34.59222390
         23.76380190
          5.73138400
          1.24480127
       7209.27029e-4
       1232.73212e-4
       4555.07008e-5
 -0.000103617280
 -0.000710492285
 -0.003641948620
 -0.010362187000
  0.051354153200
  0.031351300200
 -0.116857566000
 -0.078112326800
  0.368037847000
 -0.365769312000
 -0.325575675000
  0.693033466000
  0.488251253000
* p-type functions
   10    2
       4533.49747000
        976.48201000
        290.57027100
         43.40518430
         20.75141400
         13.32287450
          6.56133240
          1.28448283
          0.48715976
          0.08100000
 -0.002601276450  0.000000000000
 -0.025268093500  0.000000000000
 -0.070058160200  0.000000000000
  0.217607538000  0.000000000000
  0.120243479000  0.000000000000
 -0.181022413000  0.000000000000
 -0.483698072000  0.000000000000
  0.757173195000  0.000000000000
  0.386915830000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        602.88307300
        174.19455500
         63.01763170
         11.97052740
          6.32122851
          1.39019873
       5383.17095e-4
       1822.67404e-4
          0.06170000
  0.005643833560  0.000000000000
  0.035520748200  0.000000000000
  0.078532638400  0.000000000000
 -0.143545903000  0.000000000000
 -0.147745374000  0.000000000000
  0.392095963000  0.000000000000
  0.527469604000  0.000000000000
  0.275500889000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         72.66477300
         23.56748500
          8.92980230
          3.43676900
          1.21641300
  0.083616677000
  0.307153270000
  0.473460980000
  0.367770990000
  0.116583760000
********************************************************************************
* Core AIMP: IRQR(4F)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.4377362000e5  1.6053020000e5  5.5354708000e4  2.0752586000e4  8.3060102000e3  3.4568929000e3  1.4252238000e3  6.3261142000e2  3.1280045000e2  1.1288928000e2 65.088541000000
 14.740436000000  7.933307000000  3.391803000000  1.560851000000
  0.038981402667  0.030048554667  0.047118664667  0.072020766667  0.101152853333  0.125778440000  0.173141593333  0.307620660000  0.275471660000  0.402643080000  0.702576133333
  0.849778600000  0.694458266667  0.263621320000  0.048921351333
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  5.6453314000e3  9.9867280000e2  2.3832352000e2 53.401719000000  8.505867500000
     725248.32000000
      84331.20100000
      15014.91300000
       3821.35160000
       1267.15050000
        497.77780000
        214.76497000
         96.95930400
         44.65569400
         20.69293000
          9.61705530
          4.47236770
          2.08012820
          0.96750005
          0.42445997
  0.009812570300  0.003880341800  0.001865456000  0.000929050460  0.000395661370
  0.042363209000  0.017301057000  0.008276300100  0.004096210300  0.001726497600
  0.154917450000  0.066218646000  0.032253886000  0.016115013000  0.006868818300
  0.365120460000  0.174021770000  0.085432128000  0.042519498000  0.017921539000
  0.439173450000  0.257105370000  0.134089980000  0.068413483000  0.029501287000
  0.178190810000  0.041499994000  0.007961750700  0.000952135500 -0.000751950420
 -0.004712856800 -0.542022850000 -0.445820540000 -0.250310560000 -0.107373930000
 -0.014761390000 -0.538757290000 -0.645606720000 -0.418733840000 -0.193239390000
  0.004814007900 -0.064030243000  0.571245430000  0.550215380000  0.280028790000
  0.011736770000  0.002281377600  0.819143580000  1.084576300000  0.574177380000
 -0.003444883900  0.001719682100  0.052137891000 -0.736898430000 -0.526933180000
 -0.004458440900 -0.005090823400  0.017433270000 -0.847530870000 -0.986168550000
  0.000319566160  0.001554512100 -0.010039664000 -0.048528483000  0.419983860000
  0.001484463000  0.000296084320  0.004983517700 -0.008883802000  0.910564850000
  0.000291864120  0.000328571820 -0.000985069210  0.001846507200  0.189956780000
   12    3
  8.7027659000e2  1.9999881000e2 40.568029000000
      17667.93900000
       4117.66460000
       1377.36070000
        549.45058000
        243.79739000
        115.97725000
         56.26005700
         28.97267500
         14.93412600
          7.73716900
          3.96130490
          1.83806000
  0.004868283900  0.002548769300  0.001257500200
  0.028383589000  0.014954876000  0.007408304000
  0.106685090000  0.058247838000  0.029042958000
  0.269577850000  0.153950710000  0.077800964000
  0.410144600000  0.248423650000  0.127124880000
  0.299648430000  0.096519061000  0.034671786000
  0.068533617000 -0.384068910000 -0.298741210000
 -0.005134945900 -0.550243220000 -0.448418220000
  0.000027744576 -0.194511760000  0.128765520000
  0.001484687400 -0.011993273000  0.654078810000
  0.001489625900 -0.000498286570  0.390479820000
  0.000119799940  0.000384578800  0.043561865000
   10    2
  1.5635916000e2 24.254678000000
       2036.13970000
        626.17981000
        250.17350000
        113.02017000
         54.51030800
         27.44272800
         13.86384400
          6.95022890
          3.41932190
          1.53594710
  0.003582246300  0.001851683100
  0.025939878000  0.013327262000
  0.105440960000  0.055736329000
  0.268599700000  0.142736570000
  0.406601390000  0.208124930000
  0.308937480000  0.052912746000
  0.090554564000 -0.326450910000
  0.005985220000 -0.499346040000
  0.000189950930 -0.274428750000
 -0.000098033044 -0.041423111000
    5    1
  6.064237900000
         72.66477300
         23.56748500
          8.92980230
          3.43676900
          1.21641300
  0.083616677000
  0.307153270000
  0.473460980000
  0.367770990000
  0.116583760000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
IRQR(4F)-[CD]4F
End of Spectral Representation Operator

/Pt.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.16el.
M. Casarrubios, L. Seijo. J. Chem. Phys. 110 (1999) 784-796. doi:10.1063/1.478046
PLATINUM (13s,10p,9d,5f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
*PTQR3F-PDS(A3/91/81/5)-SO
********************************************************************************
    16.0   3
* s-type functions
   13    1
     977472.19000000
      77289.67970000
      10722.55810000
       1984.16766000
        166.72384100
         66.55730460
         32.10794140
         26.97318950
          5.81233660
          1.82643365
       9160.70477e-4
          0.12995238
       4793.52977e-5
 -0.000103299783
 -0.000703146124
 -0.003607578880
 -0.011726625100
  0.056262093400
  0.017791917100
 -0.132462257000
 -0.054118394400
  0.397180185000
 -0.176553784000
 -0.536686621000
  0.696874412000
  0.477008855000
* p-type functions
   10    2
       4727.09699000
       1015.12179000
        301.33146800
         44.25540080
         20.13795110
         12.30594290
          6.65729721
          1.36566091
       5189.40216e-4
          0.08600000
 -0.002570272960  0.000000000000
 -0.025672941900  0.000000000000
 -0.071597886600  0.000000000000
  0.232284698000  0.000000000000
  0.099629837000  0.000000000000
 -0.210389249000  0.000000000000
 -0.456661036000  0.000000000000
  0.763084244000  0.000000000000
  0.385740933000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        624.35486200
        180.05507700
         65.12213670
         12.63271750
          6.79732736
          1.46188125
       5665.38627e-4
       1927.24246e-4
          0.06000000
  0.005834563710  0.000000000000
  0.036976032500  0.000000000000
  0.081774946800  0.000000000000
 -0.141642728000  0.000000000000
 -0.158285375000  0.000000000000
  0.410781097000  0.000000000000
  0.521888556000  0.000000000000
  0.260035571000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         77.47773300
         25.23147700
          9.62477330
          3.74120000
          1.33936000
  0.080797666000
  0.302016680000
  0.473594630000
  0.370167730000
  0.115260110000
********************************************************************************
* Core AIMP: PTQR(3F)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.1452899000e5  1.4262249000e5  4.6546148000e4  1.6756102000e4  6.4601642000e3  2.5530142000e3  1.0162994000e3  4.6379674000e2  2.0297815000e2 90.278604000000 59.284371000000
 14.839736000000  7.827088000000  3.375910000000  1.591190000000
  0.038788841250  0.032241606250  0.051467514375  0.078981743750  0.109178518750  0.135463700000  0.220997006250  0.332697625000  0.188671106250  0.587048700000  0.369005500000
  0.864813750000  0.607182206250  0.221872662500  0.036589523750
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  5.8155823000e3  1.0331139000e3  2.4766787000e2 56.014567000000  9.067827300000
     871438.20000000
     102443.28000000
      21315.90700000
       5940.10820000
       1991.62720000
        758.26298000
        257.78263000
        114.35326000
         42.61872700
         22.80235800
          9.26854230
          4.83202510
          1.84350350
          0.97256204
          0.43779500
  0.009355907300  0.003755111000  0.001774695100  0.000895177300  0.000384137150
  0.034914475000  0.014092140000  0.006748208400  0.003384283200  0.001447902200
  0.107379840000  0.046278704000  0.022136846000  0.011179670000  0.004803423200
  0.264140870000  0.118592930000  0.057337165000  0.029191911000  0.012497127000
  0.423540650000  0.233754420000  0.118098900000  0.059611956000  0.025704406000
  0.318895110000  0.166384580000  0.087327600000  0.043359434000  0.018498913000
  0.040191685000 -0.430437690000 -0.362277900000 -0.203394280000 -0.089533160000
 -0.030224724000 -0.640311010000 -0.664535200000 -0.416696730000 -0.189533330000
  0.010911487000 -0.123606510000  0.452188580000  0.483629920000  0.249559690000
  0.006717990800  0.039452453000  0.810177330000  0.981164090000  0.524791640000
  0.000820301140 -0.014592509000  0.119826110000 -0.610198380000 -0.484930500000
 -0.006967469600  0.004724835300 -0.022186898000 -0.852787610000 -0.924083070000
  0.001535597900 -0.003429964600  0.007534435900 -0.080881451000  0.476359900000
  0.000803153430  0.002981644000 -0.003307756900  0.014107309000  0.818009880000
  0.000415852410 -0.000320462630  0.000946845260 -0.002412049900  0.169585410000
   12    3
  8.9832600000e2  2.0761238000e2 42.604302000000
      18166.78900000
       4230.84060000
       1413.28270000
        564.76027000
        251.46543000
        120.06849000
         58.62239800
         30.30984000
         15.71791300
          8.15482820
          4.18941330
          1.95000000
  0.004944776400  0.002593954100  0.001285781100
  0.028725775000  0.015188324000  0.007555265600
  0.107530940000  0.058849609000  0.029479136000
  0.269397460000  0.154331660000  0.078323225000
  0.408072170000  0.247326410000  0.127128980000
  0.299327760000  0.098266329000  0.035767402000
  0.069843644000 -0.376109280000 -0.293952440000
 -0.004898482400 -0.550340290000 -0.452188960000
 -0.000208741290 -0.201706220000  0.112147940000
  0.001588777800 -0.013761110000  0.652940050000
  0.001552942800 -0.000330634590  0.401285660000
  0.000139772170  0.000390861110  0.045887938000
   10    2
  1.6259972000e2 25.730048000000
       1895.38800000
        585.98263000
        235.14216000
        106.92626000
         51.99387400
         26.38440700
         13.44960400
          6.81687800
          3.39382000
          1.53859000
  0.004402145400  0.002289248800
  0.030971665000  0.016068066000
  0.120881210000  0.064498906000
  0.290051890000  0.155258710000
  0.408261090000  0.206417670000
  0.281896680000  0.017035011000
  0.074536328000 -0.357031820000
  0.004304543300 -0.487434450000
  0.000092549030 -0.245901400000
 -0.000086652655 -0.033732244000
    5    1
  6.938838800000
         77.47773300
         25.23147700
          9.62477330
          3.74120000
          1.33936000
  0.080797666000
  0.302016680000
  0.473594630000
  0.370167730000
  0.115260110000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PTQR(3F)-[CD]4F
End of Spectral Representation Operator

/Pt.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.16el-ave.
M. Casarrubios, L. Seijo. J. Chem. Phys. 110 (1999) 784-796. doi:10.1063/1.478046
PLATINUM (13s,10p,9d,5f) -> [1s,2p,2d,1f]
********************************************************************************
* and:
* M. Casarrubios, L. Seijo. Chem. Phys. Lett. 236 (1995) 510-515. doi:10.1016/0009-2614(95)00243-w
*relativistic core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*
* - Exponents from CG-AIMP SCF calculation on Pt (d9s1-3D);
*   coefficients from CG-AIMP CASSCF calculation on
*   Pt (d9s1-3D,d8s2-3F,d8s2-3P)average.
*
* - Spin-orbit basis set correction method from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* - (5o1) f orthogonality & polarization functions = splitted 4f core orbital
*
*PTQR3AVE-PDS(A3/91/81/5)-SO
********************************************************************************
    16.0   3
* s-type functions
   13    1
     994692.87900000
      77955.26950000
      10772.63920000
       1988.88676000
        166.37443800
         79.70106650
         31.38866000
         24.99927280
          6.00960420
          1.34610155
       7578.33253e-4
       1229.41305e-4
       4530.23036e-5
  0.000105261000
  0.000721119980
  0.003707798200
  0.012072632200
 -0.057569767900
 -0.012541352600
  0.139107626000
  0.051326564700
 -0.395253404000
  0.401775559000
  0.306806124000
 -0.760869536000
 -0.412770256000
* p-type functions
   10    2
       4731.02594000
       1015.73335000
        301.46590100
         44.19478090
         20.04553780
         12.24703760
          6.65042248
          1.36632394
       5149.97305e-4
          0.08600000
 -0.002534014640  0.000000000000
 -0.025371862200  0.000000000000
 -0.070801020800  0.000000000000
  0.230482869000  0.000000000000
  0.096816342000  0.000000000000
 -0.205871615000  0.000000000000
 -0.456534493000  0.000000000000
  0.760464591000  0.000000000000
  0.389962583000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        627.51777100
        180.66062900
         65.26877720
         12.55029950
          6.76567386
          1.44856022
       5454.78553e-4
       1763.93452e-4
          0.06000000
  0.005750666820  0.000000000000
  0.036438024200  0.000000000000
  0.080927163000  0.000000000000
 -0.142209503000  0.000000000000
 -0.153794452000  0.000000000000
  0.415195166000  0.000000000000
  0.530059368000  0.000000000000
  0.256277943000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         75.05053300
         24.41317700
          9.29944330
          3.61630000
          1.29000000
  0.085516336000
  0.312075000000
  0.475614440000
  0.360565360000
  0.108710380000
********************************************************************************
* Core AIMP: PTQR(3D)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.0181302000e5  1.3751051000e5  4.4288568000e4  1.5749156000e4  6.0000672000e3  2.3251769000e3  9.1187551000e2  4.1374522000e2  1.5130965000e2 74.071574000000 27.991801000000
 13.595426000000  6.779573000000  2.935070000000  1.400887000000
  0.039346648125  0.033240114375  0.053426630000  0.082252493750  0.113186775000  0.142718137500  0.247070187500  0.334996606250  0.263959331250  0.793683625000  0.100119725000
  0.960984750000  0.508523781250  0.179599993750  0.021891183125
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  5.8153441000e3  1.0328677000e3  2.4742199000e2 55.767504000000  8.828496900000
     851988.32000000
     100538.20000000
      21036.81300000
       5884.85140000
       1978.35050000
        754.74780000
        257.10497000
        114.07730000
         42.44790000
         22.70292900
          9.18325520
          4.78206730
          1.79512830
          0.93069004
          0.41136000
  0.009510728000  0.003818088300  0.001803643000  0.000910253350  0.000388831020
  0.035362211000  0.014276557000  0.006841317400  0.003428034800  0.001461964300
  0.108262560000  0.046686552000  0.022317928000  0.011280060000  0.004823317200
  0.265301460000  0.119194490000  0.057676210000  0.029338398000  0.012522590000
  0.423403210000  0.234077450000  0.118227360000  0.059721170000  0.025619054000
  0.316914200000  0.164653220000  0.086516242000  0.042846961000  0.018266262000
  0.039426353000 -0.432594090000 -0.364628690000 -0.204519490000 -0.089823054000
 -0.029936582000 -0.639035820000 -0.662647580000 -0.416067800000 -0.188219110000
  0.010817458000 -0.122407730000  0.459229760000  0.492719940000  0.252451480000
  0.006833883300  0.039157682000  0.806045270000  0.973142710000  0.519725290000
  0.000552284900 -0.014390659000  0.117330340000 -0.627597200000 -0.500741690000
 -0.006752906600  0.004517691200 -0.021942458000 -0.840748390000 -0.905378850000
  0.001536521800 -0.003121843500  0.007256079400 -0.075433187000  0.527110280000
  0.000807123290  0.002785116400 -0.003135832400  0.013460661000  0.786110370000
  0.000371233010 -0.000306705040  0.000900562340 -0.002358114900  0.151776680000
   12    3
  8.9808124000e2  2.0736801000e2 42.360077000000
      17727.49500000
       4123.60990000
       1365.34130000
        541.11048000
        240.21340000
        114.61193000
         55.08430400
         28.05639700
         13.99025500
          7.28400200
          3.73321300
          1.68000000
  0.005112374700  0.002688970900  0.001327166700
  0.029975994000  0.015826813000  0.007899479800
  0.113600480000  0.062355911000  0.031162299000
  0.282443420000  0.161998430000  0.082525564000
  0.412461280000  0.250756660000  0.128266440000
  0.285876860000  0.072452912000  0.020769314000
  0.059328049000 -0.426629990000 -0.338421210000
 -0.006554742200 -0.542419130000 -0.428369720000
  0.000850466920 -0.158815170000  0.232892650000
  0.001507599300 -0.002744895600  0.664557110000
  0.001354539700 -0.001287525600  0.317155870000
  0.000049409282  0.000521944230  0.025940740000
   10    2
  1.6235609000e2 25.487903000000
       2601.68180000
        782.68596000
        303.62024000
        133.33635000
         62.78038200
         30.98739600
         15.39613000
          7.62881600
          3.72380000
          1.66000000
  0.002342502300  0.001222946600
  0.018570729000  0.009580874900
  0.084335143000  0.044746484000
  0.240777150000  0.128900290000
  0.405434380000  0.212797050000
  0.344339550000  0.093080027000
  0.111452560000 -0.297570850000
  0.007978472700 -0.513993060000
  0.000288496610 -0.295841440000
 -0.000142208020 -0.045330838000
    5    1
  6.695845600000
         75.05053300
         24.41317700
          9.29944330
          3.61630000
          1.29000000
  0.085516336000
  0.312075000000
  0.475614440000
  0.360565360000
  0.108710380000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PTQR(3D)-[CD]4F
End of Spectral Representation Operator

/Au.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.17el.
M. Casarrubios, L. Seijo. J. Chem. Phys. 110 (1999) 784-796. doi:10.1063/1.478046
GOLD (13s,10p,9d,5f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
*AUQR2S-PDS(A3/91/81/5)-SO
********************************************************************************
    17.0   3
* s-type functions
   13    1
    1027116.12000000
      80200.72340000
      11026.76770000
       2054.70888000
        170.33267900
         71.80516740
         30.12612100
          9.94131585
          5.88850690
          1.52638883
       8016.31622e-4
       1309.13811e-4
       4737.91401e-5
 -0.000098757300
 -0.000672222259
 -0.003438874950
 -0.010881592000
  0.054552882400
  0.008387973500
 -0.177394707000
  0.037151824800
  0.341538213000
 -0.332686983000
 -0.337450203000
  0.629885728000
  0.537815771000
* p-type functions
   10    2
       4876.53917000
       1047.68322000
        311.11848600
         45.58713610
         21.04547300
         12.04786750
          6.89478747
          1.43585213
       5400.31533e-4
          0.08900000
 -0.002571521000  0.000000000000
 -0.026083981900  0.000000000000
 -0.072644865900  0.000000000000
  0.238004839000  0.000000000000
  0.083718121200  0.000000000000
 -0.214596956000  0.000000000000
 -0.445014574000  0.000000000000
  0.767405993000  0.000000000000
  0.384200565000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        636.34161300
        184.48337200
         67.03214420
         13.33416630
          7.29020500
          1.52702291
       5791.13187e-4
       1896.41646e-4
          0.06210000
  0.006023648120  0.000000000000
  0.037420701500  0.000000000000
  0.082017060900  0.000000000000
 -0.134533063000  0.000000000000
 -0.164005778000  0.000000000000
  0.418563590000  0.000000000000
  0.515860995000  0.000000000000
  0.269052886000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         81.80855900
         26.72294100
         10.24161000
          4.00907700
          1.43997810
  0.079238069000
  0.299738470000
  0.474982040000
  0.370336640000
  0.112153790000
********************************************************************************
* Core AIMP: AUQR(2S)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.8702162000e5  1.7189820000e5  5.9497108000e4  2.2430786000e4  8.9886902000e3  3.7273729000e3  1.5309838000e3  6.7801542000e2  3.3519545000e2  1.2137728000e2 70.077641000000
 15.878936000000  8.635127000000  3.731313000000  1.718291000000
  0.034524567059  0.026545985294  0.041368126471  0.063036170588  0.089038570588  0.111513035294  0.153299764706  0.271617694118  0.244371582353  0.351019088235  0.625913529412
  0.764215058824  0.611263235294  0.220835076471  0.038497330000
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  5.9888808000e3  1.0681066000e3  2.5699343000e2 58.436481000000  9.384167300000
     707241.47000000
      86269.25300000
      18564.84300000
       5318.88920000
       1830.07930000
        717.23116000
        258.08808000
        115.26861000
         43.56544100
         23.22562500
          9.53047990
          4.97433920
          1.90039840
          0.97940104
          0.43208900
  0.011452393000  0.004619258900  0.002207260000  0.001106533000  0.000477397190
  0.041378953000  0.016892695000  0.008203328600  0.004082319700  0.001760349900
  0.122927080000  0.053468755000  0.025786291000  0.012989737000  0.005609136600
  0.286872360000  0.131494350000  0.065411591000  0.032662506000  0.014099900000
  0.423687670000  0.239556290000  0.120476210000  0.061637218000  0.026703146000
  0.281901640000  0.135299010000  0.071044368000  0.034713516000  0.014954616000
  0.027761253000 -0.456345610000 -0.388391680000 -0.218909320000 -0.097349881000
 -0.025799947000 -0.619173980000 -0.644560170000 -0.408282160000 -0.186751740000
  0.008638249100 -0.113879110000  0.487601640000  0.524218110000  0.271279370000
  0.008561910200  0.036200586000  0.787638670000  0.958569740000  0.520265060000
 -0.000876440590 -0.013520866000  0.112985260000 -0.640399380000 -0.520170210000
 -0.006180459800  0.003800099500 -0.020475833000 -0.836399940000 -0.917501270000
  0.001221959200 -0.002774124700  0.006684217600 -0.074647323000  0.546232910000
  0.001089588700  0.002605976600 -0.002731125200  0.012387296000  0.786167770000
  0.000322204230 -0.000252048070  0.000810143630 -0.002183352600  0.147497690000
   12    3
  9.2660548000e2  2.1512622000e2 44.426134000000
      18501.78900000
       4310.74060000
       1440.12270000
        574.58027000
        255.45543000
        121.82049000
         59.18739800
         30.49984100
         15.70691300
          8.14852820
          4.18101330
          1.90581000
  0.005094610500  0.002681743000  0.001334194800
  0.029346427000  0.015554913000  0.007776010300
  0.109430760000  0.060102225000  0.030228398000
  0.273311110000  0.157000340000  0.080084417000
  0.409960810000  0.249047670000  0.128440640000
  0.295328310000  0.089740954000  0.030520167000
  0.065994751000 -0.394347230000 -0.311180240000
 -0.005652970000 -0.546691070000 -0.447442350000
  0.000080936234 -0.187057690000  0.151542520000
  0.001694842900 -0.010390092000  0.665406980000
  0.001514847400 -0.000391835590  0.371631780000
  0.000107800570  0.000415383160  0.036015654000
   10    2
  1.6870350000e2 26.979478000000
      13666.83100000
       1171.64190000
        372.56106000
        151.03421000
         68.57627800
         33.23928900
         16.35815100
          8.08221500
          3.94862100
          1.76440620
  0.000439505330  0.000229855600
  0.011883397000  0.006161981400
  0.071735532000  0.038152705000
  0.230228860000  0.124108420000
  0.409784310000  0.218031290000
  0.361542780000  0.110188650000
  0.120441730000 -0.287309590000
  0.008813435600 -0.518994620000
  0.000322826910 -0.302277240000
 -0.000169043880 -0.046339958000
    5    1
  7.582185600000
         81.80855900
         26.72294100
         10.24161000
          4.00907700
          1.43997810
  0.079238069000
  0.299738470000
  0.474982040000
  0.370336640000
  0.112153790000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
AUQR(2S)-[CD]4F
End of Spectral Representation Operator

/Hg.CG-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.18el.
M. Casarrubios, L. Seijo. J. Chem. Phys. 110 (1999) 784-796. doi:10.1063/1.478046
MERCURY (13s,10p,9d,5f) -> [1s,2p,2d,1f]
********************************************************************************
*relativistic core[Cd,4f] val[5p,6s,5d] SO-corr  (13,11/911*/8111d/5o1*)=3s3p4d2f recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
*HGQR1S-PDS(A3/91/81/5)-SO
********************************************************************************
    18.0   3
* s-type functions
   13    1
    1158115.92000000
      90804.28090000
      12373.25630000
       2178.55879000
        173.05331500
         51.78996890
         32.01232400
          9.26570520
          6.32715382
          1.61880078
       9281.04636e-4
       1482.95166e-4
        533.53923e-4
 -0.000103954486
 -0.000699405209
 -0.003591765910
 -0.012361491700
  0.061832967700
  0.015717626200
 -0.199401370000
  0.026733596900
  0.379881377000
 -0.329622523000
 -0.384672465000
  0.684224492000
  0.494311878000
* p-type functions
   10    2
       5093.74504000
       1087.97477000
        321.67511300
         47.48733010
         24.85191260
         12.57129190
          7.29259729
          1.52424202
       5836.09999e-4
          0.09300000
 -0.002533975320  0.000000000000
 -0.026650598100  0.000000000000
 -0.074606926600  0.000000000000
  0.235341812000  0.000000000000
  0.077272120100  0.000000000000
 -0.181672620000  0.000000000000
 -0.476054454000  0.000000000000
  0.771949142000  0.000000000000
  0.381148773000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        669.21339700
        192.40433600
         69.59852270
         13.78897080
          7.57031498
          1.64547628
       6447.23373e-4
       2217.01058e-4
          0.07620000
  0.006158873450  0.000000000000
  0.039544542600  0.000000000000
  0.087685901900  0.000000000000
 -0.144876259000  0.000000000000
 -0.172736200000  0.000000000000
  0.430257093000  0.000000000000
  0.515455059000  0.000000000000
  0.242847774000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         87.23334200
         28.60843600
         11.03706700
          4.36266400
          1.59132700
  0.076141914000
  0.293331190000
  0.473833450000
  0.374179030000
  0.112889900000
********************************************************************************
* Core AIMP: HGQR(1S)-[CD]4F
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  7.0655862000e5  1.7717090000e5  6.1433798000e4  2.3198266000e4  9.3075892000e3  3.8633109000e3  1.5892868000e3  7.0428312000e2  3.4847785000e2  1.2639668000e2 72.816491000000
 16.501136000000  9.048337000000  3.956869000000  1.850919000000
  0.032735917222  0.025111677778  0.039084733333  0.059470772222  0.083935661111  0.105162222222  0.144341494444  0.255495216667  0.232280666667  0.326591094444  0.597402055556
  0.724305555556  0.576470555556  0.206054644444  0.036002163889
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  6.1662154000e3  1.1044960000e3  2.6710794000e2 61.469777000000 10.224765000000
    1007379.40000000
     116476.31000000
      23886.24100000
       6569.90280000
       2178.02170000
        821.43263000
        278.98441000
        123.41751000
         45.99390400
         24.69567300
         10.06075400
          5.31044480
          2.06672790
          1.08749900
          0.48813000
  0.009446361500  0.003822052400  0.001829998000  0.000919903020  0.000402701670
  0.034652223000  0.014126863000  0.006857970600  0.003425625700  0.001496392800
  0.105580220000  0.045869650000  0.022162988000  0.011188354000  0.004903535400
  0.260131290000  0.117651780000  0.058314646000  0.029229669000  0.012777658000
  0.422699940000  0.232547480000  0.116886260000  0.059768181000  0.026282552000
  0.326156620000  0.170142300000  0.089160876000  0.044531605000  0.019424282000
  0.043198363000 -0.420664390000 -0.355166100000 -0.200940810000 -0.090418775000
 -0.031762025000 -0.646146080000 -0.669300470000 -0.421893870000 -0.195825970000
  0.011090573000 -0.128584150000  0.433893020000  0.471330450000  0.249024530000
  0.006910879000  0.041558048000  0.820727940000  0.998592680000  0.547974300000
  0.001007845100 -0.015587912000  0.126152060000 -0.588931460000 -0.486150100000
 -0.007739144100  0.005079073500 -0.024215949000 -0.870442210000 -0.967719490000
  0.001706002400 -0.003672387000  0.008035368800 -0.085283536000  0.492769010000
  0.000900279870  0.003175754500 -0.003394820700  0.013934193000  0.826393670000
  0.000445083290 -0.000324469750  0.000970092540 -0.002379897500  0.166747260000
   12    3
  9.5595187000e2  2.2334241000e2 46.826040000000
      21229.49800000
       4922.62010000
       1637.75060000
        651.02629000
        288.16836000
        136.78514000
         66.36249500
         34.17927900
         17.71611700
          9.14786010
          4.69268530
          2.17900000
  0.004428443500  0.002334610300  0.001168782300
  0.025515920000  0.013546564000  0.006786888800
  0.096634267000  0.052985928000  0.026775670000
  0.250299570000  0.143254700000  0.073143426000
  0.401810660000  0.244037060000  0.126670420000
  0.322938980000  0.130072970000  0.055217209000
  0.086495577000 -0.333656250000 -0.263793720000
 -0.004851507100 -0.566400940000 -0.473101080000
 -0.000283420880 -0.231323530000  0.054954291000
  0.001469108000 -0.018505622000  0.653939050000
  0.001851597300 -0.000154445260  0.430680300000
  0.000150935490  0.000443397310  0.050591690000
   10    2
  1.7546533000e2 28.787273000000
       2044.24050000
        630.36981000
        252.52741000
        114.85777000
         55.97150900
         28.49478700
         14.59969400
          7.44823300
          3.73674000
          1.70515000
  0.004302118300  0.002268069700
  0.030393238000  0.016001196000
  0.119277980000  0.064537126000
  0.287402490000  0.156161020000
  0.406923960000  0.208993580000
  0.284495410000  0.021695849000
  0.077197618000 -0.354027410000
  0.004631206800 -0.490601170000
  0.000033726650 -0.246094200000
 -0.000102087810 -0.032904944000
    5    1
  8.780446800000
         87.23334200
         28.60843600
         11.03706700
          4.36266400
          1.59132700
  0.076141914000
  0.293331190000
  0.473833450000
  0.374179030000
  0.112889900000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
HGQR(1S)-[CD]4F
End of Spectral Representation Operator

********************************************************************************
*       C.1.3. f-Elements
********************************************************************************
*
*         - 3g polarization functions via maximum overlap with
*           with 4f (Ln) or 4f (An) radial functions
*
********************************************************************************
*         C.1.3.1.a. Lanthanide Elements (core [Kr,4d])
********************************************************************************

/Ce.CG-AIMP.Diaz-Megias.14s10p9d8f3g.2s1p1d1f1g.ECP.12el.
S. Diaz-Megias, L. Seijo. Chem. Phys. Lett. 299 (1999) 613-622. doi:10.1016/s0009-2614(98)01338-4
CERIUM (14s,10p,9d,8f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Kr,4d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on CeQR(5I)
********************************************************************************
    12.0   4
* s-type functions
   14    2
     926421.11400000
      81012.40610000
      12742.49520000
       2768.76121000
        731.17338400
         93.15149530
         55.41667820
         12.84432790
          2.71513670
          1.74188058
       5165.54223e-4
       2359.91248e-4
       5303.54891e-5
       2234.67556e-5
  0.000090829760 -0.000025268432
  0.000638964286 -0.000177760159
  0.003358402600 -0.000934323997
  0.013574390300 -0.003777148750
  0.032103921800 -0.008938633330
 -0.106251178000  0.029712949800
 -0.096479409200  0.027022923200
  0.554300863000 -0.158636069000
 -0.808974438000  0.256194069000
 -0.317436737000  0.098273584000
  0.902913607000 -0.401110596000
  0.443800940000 -0.342651015000
  0.009648975560  0.707286767000
 -0.003815226370  0.507312847000
* p-type functions
   10    1
       2088.55133000
        469.00692000
        143.28039200
         21.24068470
         10.54213890
          5.06324752
          2.61661871
       6030.71475e-4
       2708.76397e-4
       1096.56887e-4
 -0.003093751582
 -0.021578398579
 -0.057380166103
  0.175180918832
  0.097198170612
 -0.208044196819
 -0.395293542301
  0.586033534459
  0.489363739671
  0.083007841125
* d-type functions
    9    1
        279.25537000
         80.47858210
         28.49963880
          5.17904794
          2.58145670
          0.55919048
       2275.44676e-4
        901.33493e-4
       3557.62695e-5
  0.005425962530
  0.027598429635
  0.057393587943
 -0.109743373110
 -0.126918588246
  0.282560080498
  0.452505168674
  0.374706374199
  0.117160498842
* f-type functions
    8    1
        104.51740600
         35.26094330
         13.86538260
          5.80002183
          2.44000248
          1.02125527
       4084.02332e-4
       1450.27752e-4
  0.005585101678
  0.035916833957
  0.129731731710
  0.287271676699
  0.384249090772
  0.334164979570
  0.202118380562
  0.073646773450
* g-type functions
    3    1
         10.08000000
          2.53000000
          0.61700000
  0.410088012000
  0.617701017000
  0.397316307000
********************************************************************************
* Core AIMP: CeQR(5I)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.8955920000e5  9.6504447000e4  2.7817610000e4  9.0876833000e3  3.2480658000e3  1.1917582000e3  4.3840276000e2  1.9425580000e2 64.592256000000 32.196301000000  5.996351100000
  3.418220300000  1.760974400000
  0.038110806667  0.036907252500  0.062152462500  0.101033816667  0.144574508333  0.178774708333  0.315459816667  0.413204658333  0.352808200000  0.926018333333  0.732385233333
  0.469286975000  0.062616550833
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  2.9938427000e3  4.8738373000e2  1.0823217000e2 23.255476000000
     890439.98000000
     109876.66000000
      23933.41000000
       6976.03540000
       2427.04910000
        950.40895000
        401.88372000
        165.39461000
         81.05913300
         40.22782000
         18.02666400
          9.36565400
          4.32970180
          2.24152830
          1.05040000
  0.002693328500  0.000971664670  0.000440954520  0.000209313870
  0.011473578000  0.004217595900  0.001943971100  0.000911725890
  0.039758536000  0.014874456000  0.006779744600  0.003225595400
  0.113673810000  0.044400370000  0.020667440000  0.009709068000
  0.255516930000  0.108815210000  0.050593398000  0.024199222000
  0.389703210000  0.203039390000  0.099377185000  0.047081312000
  0.302518290000  0.199078120000  0.099718060000  0.049225380000
  0.062126380000 -0.175407760000 -0.116366160000 -0.062573575000
 -0.014727254000 -0.593439040000 -0.541947260000 -0.292504580000
 -0.001426918200 -0.370002080000 -0.382149990000 -0.240728890000
  0.000932640370 -0.041669392000  0.643843880000  0.583144280000
  0.005564311700  0.007313055300  0.666751750000  0.856147650000
 -0.001279627600 -0.002023040600  0.088001765000 -0.488894280000
 -0.001283272100 -0.000055172390 -0.002893327600 -0.901074680000
 -0.000343519070 -0.000350570910  0.000425509850 -0.144864960000
   12    3
  4.3653059000e2 91.619800000000 17.610789000000
      10143.79000000
       2441.18260000
        834.09896000
        336.91232000
        149.47510000
         70.28496900
         33.51708300
         16.76604700
          8.55958660
          4.20978530
          2.08206120
          0.94810000
  0.003325914800  0.001622080100  0.000762882630
  0.020882892000  0.010260917000  0.004723706700
  0.082807274000  0.041929074000  0.019758896000
  0.225358290000  0.119424140000  0.056023536000
  0.390620180000  0.222047550000  0.107650470000
  0.348799420000  0.165146590000  0.072232800000
  0.110014020000 -0.240799410000 -0.163785940000
  0.001115674300 -0.572376150000 -0.438718150000
  0.000408999780 -0.303444240000 -0.106595430000
 -0.000124737430 -0.035732657000  0.582019780000
  0.001136478500 -0.000204965340  0.532902870000
  0.000067991170  0.000086170296  0.087219859000
   10    2
 67.821229000000  9.197212100000
       1050.35740000
        326.73365000
        132.11755000
         60.42932900
         29.24513700
         14.57861500
          7.27021070
          3.51128200
          1.64933000
          0.70407000
  0.003240571500  0.001485698900
  0.023497608000  0.010860592000
  0.093127076000  0.043736989000
  0.235374050000  0.112074400000
  0.380617470000  0.176196690000
  0.346953800000  0.111192510000
  0.130688670000 -0.218044130000
  0.012372521000 -0.507965170000
 -0.000126033580 -0.366646550000
 -0.000112220020 -0.073847506000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CeQR(5I)-[Kr,4d]
End of Spectral Representation Operator

/Pr.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.13el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
PRASEODYMIUM (14s,10p,9d,8f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Kr,4d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on PrQR(6L)
********************************************************************************
    13.0   4
* s-type functions
   14    2
    1085963.55000000
      92545.94510000
      14155.99160000
       2990.86940000
        772.89297400
         96.34782380
         57.30162530
         13.50888910
          2.80463846
          1.64073371
       5238.61054e-4
       2331.87482e-4
       4521.56295e-5
       1951.10115e-5
  0.000083682712 -0.000021744130
  0.000590674106 -0.000153484093
  0.003154122590 -0.000819582218
  0.013116243200 -0.003408808150
  0.031512599400 -0.008193851100
 -0.106160020000  0.027692470000
 -0.091692841300  0.024018329500
  0.535944047000 -0.142960962000
 -0.834003207000  0.244914147000
 -0.255125685000  0.069476533200
  0.871844194000 -0.337038833000
  0.461908348000 -0.336141027000
  0.011890442800  0.709643448000
 -0.002207549030  0.475584171000
* p-type functions
   10    1
       2193.42642000
        490.68857200
        149.51957700
         22.05791600
          9.93350231
          5.43228783
          2.67204639
          0.62015245
       2785.19932e-4
       1153.15271e-4
 -0.002917121082
 -0.020719121697
 -0.055392521394
  0.174084367206
  0.107359519016
 -0.229278313569
 -0.367570294073
  0.538763512278
  0.509680970388
  0.108341033108
* d-type functions
    9    1
        288.79723500
         83.63318630
         29.82107920
          5.41140092
          2.66053071
       5821.91768e-4
       2358.34334e-4
        910.35452e-4
       3400.19962e-5
  0.005266264207
  0.023938436285
  0.049350201020
 -0.096920736864
 -0.107130975927
  0.231140593003
  0.399454102032
  0.420918138294
  0.206823763351
* f-type functions
    8    1
        103.26038900
         34.47112460
         13.55910450
          5.79549941
          2.50411307
          1.05782110
       4166.22018e-4
       1422.46714e-4
  0.006382885088
  0.040700918404
  0.139048228064
  0.282092918957
  0.366879008939
  0.332231935894
  0.215260287117
  0.088953695835
* g-type functions
    3    1
         10.02000000
          2.46000000
          0.57900000
  0.427384414000
  0.616509211000
  0.393157697000
********************************************************************************
* Core AIMP: PrQR(6L)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.0199191000e5  9.8211422000e4  2.8164649000e4  9.1711140000e3  3.2727448000e3  1.2010705000e3  4.4629150000e2  1.9965041000e2 66.438829000000 33.607714000000  6.233808500000
  3.434677900000  1.703947000000
  0.035568202308  0.034681760769  0.058493790769  0.094990661538  0.134846230769  0.166092323077  0.294428376923  0.375868661538  0.329743223077  0.847036769231  0.703334192308
  0.418215815385  0.045161549231
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.1081452000e3  5.0813216000e2  1.1289924000e2 23.793528000000
     889600.00000000
     110030.00000000
      24130.00000000
       7038.00000000
       2447.00000000
        958.20000000
        406.00000000
        164.90000000
         81.13000000
         40.48000000
         18.67000000
          9.71000000
          4.53900000
          2.32900000
          1.08500000
  0.002883949100  0.001044138800  0.000476019790  0.000225995770
  0.012069064000  0.004464711500  0.002062617500  0.000969016200
  0.041345970000  0.015534758000  0.007114977900  0.003385872400
  0.117490910000  0.046261714000  0.021589075000  0.010160092000
  0.261852490000  0.112270820000  0.052489359000  0.025115541000
  0.391492540000  0.206885910000  0.101621300000  0.048249964000
  0.294558210000  0.191440520000  0.096463850000  0.047642323000
  0.057143173000 -0.204798640000 -0.139410320000 -0.074711735000
 -0.016305576000 -0.597206660000 -0.556566860000 -0.302636020000
 -0.000604972310 -0.343465100000 -0.351090660000 -0.223965160000
  0.000829133840 -0.035313408000  0.664163060000  0.608174490000
  0.005882396600  0.005592467100  0.652851310000  0.841123350000
 -0.001455280600 -0.001346781300  0.084683446000 -0.506686030000
 -0.001293853100 -0.000413719880 -0.002105121300 -0.890882850000
 -0.000360728690 -0.000284568690  0.000358315110 -0.143631670000
   12    3
  4.5474134000e2 95.536301000000 17.907634000000
       9882.00000000
       2403.00000000
        823.80000000
        333.70000000
        148.80000000
         70.43000000
         33.81000000
         17.00000000
          8.70100000
          4.31400000
          2.12700000
          0.95900000
  0.003683061200  0.001805054100  0.000846417250
  0.022686411000  0.011211363000  0.005178336500
  0.088814054000  0.045274980000  0.021319651000
  0.236150210000  0.126183800000  0.059384635000
  0.394734650000  0.226035540000  0.109563990000
  0.336213170000  0.152024880000  0.065256920000
  0.100311150000 -0.264806770000 -0.180903710000
  0.000258080770 -0.572017460000 -0.440708030000
  0.000269492650 -0.284275540000 -0.075339877000
  0.000052596208 -0.031279547000  0.592876290000
  0.001099552700 -0.000412780080  0.516439310000
  0.000078057957  0.000098293933  0.082292667000
   10    2
 70.933515000000  9.207253000000
       1075.00000000
        338.60000000
        135.00000000
         60.23000000
         28.30000000
         13.79000000
          6.70400000
          3.22500000
          1.51300000
          0.63980000
  0.003287671600  0.001527665200
  0.023985163000  0.011013460000
  0.098683906000  0.046641328000
  0.257714340000  0.122177020000
  0.406973070000  0.188308240000
  0.329741350000  0.076136624000
  0.098895688000 -0.291453940000
  0.005542819800 -0.509072620000
  0.000253159270 -0.307213320000
 -0.000140104560 -0.053274184000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PrQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Nd.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.14el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
NEODYMIUM (14s,10p,9d,8f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Kr,4d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on NdQR(5K)
********************************************************************************
    14.0   4
* s-type functions
   14    2
    1306119.14000000
     108228.32000000
      16053.82730000
       3279.02461000
        825.02074700
         95.91097140
         54.86588270
         14.21479980
          2.89248060
          1.51674881
       5869.27235e-4
       2710.60033e-4
       6024.99834e-5
       2442.13714e-5
 -0.000080569705 -0.000022448258
 -0.000570170505 -0.000158858812
 -0.003097758450 -0.000863148965
 -0.013371184900 -0.003725831660
 -0.032923537100 -0.009181363390
  0.130570270000  0.036593493000
  0.076811830400  0.021504524500
 -0.558285419000 -0.159822258000
  0.942874879000  0.296948898000
  0.210137089000  0.068510233300
 -0.892137928000 -0.390164888000
 -0.479225742000 -0.365753813000
 -0.012218810500  0.688582279000
  0.002925158750  0.528834931000
* p-type functions
   10    1
       2299.88089000
        513.14957800
        156.01969800
         22.97812580
         10.04121750
          5.89096791
          2.85478183
       6761.07867e-4
       3111.48591e-4
       1282.56345e-4
 -0.002999055999
 -0.021742425056
 -0.058456213261
  0.185438212751
  0.124231309960
 -0.247249779660
 -0.393438965143
  0.559928153860
  0.504099558692
  0.094929558428
* d-type functions
    9    1
        305.62164200
         88.36064170
         31.48295720
          5.71326276
          2.83968907
          0.65404288
       2810.68983e-4
       1180.44091e-4
       4768.98815e-5
  0.005729661860
  0.030600390525
  0.063955600835
 -0.126305202959
 -0.135195571612
  0.286579137867
  0.456985976123
  0.353076588340
  0.111217648649
* f-type functions
    8    1
        102.36378900
         34.58512500
         13.84488700
          6.05817374
          2.70713193
          1.20269019
          0.51428132
       1999.37456e-4
  0.008175971738
  0.048042759418
  0.156138301683
  0.300179347353
  0.370761262225
  0.310850293949
  0.174232302615
  0.049983319076
* g-type functions
    3    1
         12.92000000
          3.36000000
          0.87600000
  0.387891700000
  0.616395495000
  0.399479775000
********************************************************************************
* Core AIMP: NdQR(5K)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.2471886000e5  1.0363387000e5  2.9958289000e4  9.8192591000e3  3.5067399000e3  1.2876318000e3  4.7797232000e2  2.1260763000e2 71.415361000000 35.557844000000  6.572270600000
  3.688152200000  1.887533000000
  0.032950500714  0.031839418571  0.053454198571  0.086724950000  0.124530142857  0.152961392857  0.267749192857  0.355281942857  0.295155171429  0.800997214286  0.654516442857
  0.384589435714  0.044964293571
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.2260736000e3  5.3061973000e2  1.1904296000e2 25.632714000000
     889800.00000000
     109910.00000000
      24090.00000000
       7028.00000000
       2445.00000000
        960.20000000
        408.70000000
        166.00000000
         81.60000000
         40.83000000
         19.26000000
         10.04000000
          4.74600000
          2.44500000
          1.14600000
  0.003078823000  0.001119213500  0.000512273700  0.000244653640
  0.012791041000  0.004758428100  0.002203691200  0.001042410500
  0.043467667000  0.016416378000  0.007550956800  0.003614923000
  0.122515090000  0.048615594000  0.022752211000  0.010781416000
  0.269223760000  0.116448520000  0.054716288000  0.026347044000
  0.392279050000  0.210305600000  0.103742760000  0.049607953000
  0.284340170000  0.182725620000  0.092450553000  0.046000591000
  0.051580982000 -0.230963700000 -0.160079460000 -0.086246767000
 -0.016401193000 -0.599667060000 -0.569425620000 -0.313361000000
 -0.000591492250 -0.320939270000 -0.321292940000 -0.208960170000
  0.001224365700 -0.029912860000  0.684605420000  0.639266840000
  0.005916611200  0.004433717500  0.636458330000  0.829176980000
 -0.001511860800 -0.000920149550  0.081411513000 -0.528403360000
 -0.001379055800 -0.000652548340 -0.001642069100 -0.884868100000
 -0.000361217840 -0.000248776260  0.000228599350 -0.139316200000
   12    3
  4.7454943000e2  1.0089027000e2 19.454707000000
       9977.00000000
       2411.00000000
        822.30000000
        332.60000000
        148.60000000
         70.67000000
         34.13000000
         17.31000000
          8.91400000
          4.46800000
          2.23000000
          1.02300000
  0.003898075000  0.001920434700  0.000905934790
  0.024151667000  0.011990838000  0.005591424000
  0.094263845000  0.048363732000  0.022940099000
  0.246422200000  0.132605020000  0.063021955000
  0.398749920000  0.229907830000  0.112302350000
  0.324201120000  0.138347380000  0.058171895000
  0.091590487000 -0.285871530000 -0.197659570000
 -0.000484179930 -0.566909760000 -0.442889890000
  0.000181140010 -0.269595940000 -0.051507861000
  0.000175327910 -0.028691955000  0.599549880000
  0.001097777200 -0.000467192310  0.503304350000
  0.000088398678  0.000144112270  0.080062726000
   10    2
 75.440901000000 10.371040000000
       1067.00000000
        333.20000000
        133.60000000
         60.08000000
         28.54000000
         14.09000000
          6.95500000
          3.40000000
          1.62400000
          0.70650000
  0.003702622600  0.001744307900
  0.026637923000  0.012418075000
  0.106211010000  0.051001140000
  0.267006710000  0.128393250000
  0.405333720000  0.189385870000
  0.316146790000  0.064875250000
  0.093375648000 -0.298316160000
  0.005521495600 -0.502691480000
  0.000179283180 -0.301200520000
 -0.000130554130 -0.052519334000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NdQR(5K)-[Kr,4d]
End of Spectral Representation Operator

/Pm.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.15el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
PROMETHIUM (14s,10p,9d,8f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Kr,4d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on PmQR(6L)
********************************************************************************
    15.0   4
* s-type functions
   14    2
    1384018.65000000
     114067.84100000
      16855.66890000
       3412.50985000
        855.79051300
        101.23328300
         58.90139180
         14.87346440
          3.05801019
          1.62072811
       6142.90632e-4
       2824.68382e-4
       6150.45832e-5
       2486.18103e-5
 -0.000082491737 -0.000022726578
 -0.000578441024 -0.000159359569
 -0.003118380470 -0.000859170406
 -0.013593313800 -0.003745250790
 -0.032764143700 -0.009034431240
  0.124611849000  0.034502274600
  0.082609600600  0.022919299700
 -0.557829203000 -0.157866032000
  0.922567162000  0.286171318000
  0.225640432000  0.073433203100
 -0.882502475000 -0.379117580000
 -0.486185899000 -0.365389539000
 -0.012495658500  0.685966071000
  0.003062507690  0.527134037000
* p-type functions
   10    1
       2402.06705000
        535.03622600
        162.54365500
         23.88646090
         10.07394340
          6.27618734
          2.99052314
       7068.41614e-4
       3244.79706e-4
       1336.91631e-4
 -0.002963648862
 -0.021719999982
 -0.058543782903
  0.187870806087
  0.136148235354
 -0.261356882125
 -0.390396978469
  0.553664761073
  0.506940916620
  0.098013781159
* d-type functions
    9    1
        319.33900300
         92.42308060
         33.00546360
          5.99137130
          2.96837574
       6961.65433e-4
       3009.60425e-4
       1264.55952e-4
       5065.70999e-5
  0.005709689354
  0.030631665449
  0.064194902241
 -0.127808095922
 -0.133749290141
  0.277157383341
  0.451343920766
  0.361461173938
  0.120392303029
* f-type functions
    8    1
        113.83727000
         38.82271850
         15.74700290
          6.97849993
          3.14962098
          1.40660815
          0.60114712
       2326.90952e-4
  0.007153848239
  0.043672484319
  0.143694608587
  0.286140334538
  0.367541700290
  0.321937526503
  0.188005552639
  0.056719073945
* g-type functions
    3    1
         13.77000000
          3.59000000
          0.93800000
  0.391033302000
  0.616519831000
  0.395190911000
********************************************************************************
* Core AIMP: PmQR(6L)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.4353800000e5  1.0757152000e5  3.1149318000e4  1.0223471000e4  3.6555306000e3  1.3450901000e3  5.0036455000e2  2.2272996000e2 75.279233000000 37.317610000000  6.861173000000
  3.803141800000  1.924804100000
  0.030853150000  0.029755385333  0.049906368667  0.080877060000  0.116041653333  0.142452446667  0.248404320000  0.332485546667  0.271569626667  0.752398866667  0.625129653333
  0.350323040000  0.036469538667
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.3459162000e3  5.5296180000e2  1.2454774000e2 26.761012000000
     891600.00000000
     110040.00000000
      24070.00000000
       7015.00000000
       2443.00000000
        961.10000000
        410.60000000
        166.70000000
         81.54000000
         40.76000000
         19.74000000
         10.28000000
          4.85800000
          2.50100000
          1.16900000
  0.003279626100  0.001197407400  0.000550294750  0.000263701040
  0.013516443000  0.005055373700  0.002346109200  0.001112704300
  0.045712222000  0.017359643000  0.008020580700  0.003853549300
  0.127649410000  0.051038055000  0.023944397000  0.011375806000
  0.276609370000  0.120743760000  0.057037001000  0.027575836000
  0.393245700000  0.213835450000  0.105871060000  0.050750600000
  0.273646070000  0.173185910000  0.088041611000  0.044118779000
  0.045936699000 -0.260474360000 -0.184180240000 -0.099791469000
 -0.016467698000 -0.603859010000 -0.584999050000 -0.324344440000
 -0.000460249490 -0.293972830000 -0.282997130000 -0.188930610000
  0.001700741700 -0.023267478000  0.713089660000  0.681175990000
  0.005857671000  0.003138603600  0.614562790000  0.799308220000
 -0.001627632600 -0.000525640770  0.073760525000 -0.578173560000
 -0.001423435300 -0.000869059100 -0.001422430100 -0.856997800000
 -0.000339224210 -0.000199087340  0.000154442580 -0.125694930000
   12    3
  4.9408693000e2  1.0557589000e2 20.304282000000
       9992.00000000
       2413.00000000
        822.50000000
        332.40000000
        148.70000000
         70.92000000
         34.35000000
         17.49000000
          9.01900000
          4.56000000
          2.28400000
          1.04800000
  0.004166039200  0.002062161800  0.000973912680
  0.025641301000  0.012792707000  0.005998790600
  0.099434604000  0.051326072000  0.024409901000
  0.256129250000  0.138798560000  0.066352726000
  0.402409530000  0.233384800000  0.114286660000
  0.313068680000  0.124423140000  0.050675951000
  0.083117745000 -0.310548940000 -0.216909080000
 -0.001271525000 -0.563588230000 -0.443133280000
  0.000137160870 -0.250206600000 -0.016836838000
  0.000318203010 -0.024532132000  0.610094330000
  0.001077087400 -0.000597365990  0.483999860000
  0.000090864971  0.000177180930  0.073821481000
   10    2
 79.271350000000 10.878374000000
       1061.00000000
        332.40000000
        133.70000000
         60.41000000
         28.86000000
         14.33000000
          7.10600000
          3.48800000
          1.67100000
          0.72730000
  0.004067083300  0.001928365600
  0.028797547000  0.013519123000
  0.112552600000  0.054468108000
  0.275443040000  0.133274550000
  0.406125620000  0.190061590000
  0.304924600000  0.051692323000
  0.086420261000 -0.312668500000
  0.004845891300 -0.498683240000
  0.000188737120 -0.289589840000
 -0.000112039900 -0.049207802000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PmQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Sm.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.16el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
SAMARIUM (14s,10p,9d,8f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Kr,4d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on SmQR(7K)
********************************************************************************
    16.0   4
* s-type functions
   14    2
    1599142.18000000
     129271.56800000
      18668.69740000
       3636.31740000
        895.29340300
        104.37134100
         59.57355670
         15.55391640
          3.25677180
          1.92750915
       6223.10187e-4
       2869.28163e-4
       6317.96803e-5
       2539.29358e-5
  0.000078468538 -0.000021394763
  0.000549042952 -0.000149690005
  0.002994386020 -0.000816536437
  0.013763442900 -0.003752157890
  0.032244217200 -0.008801170510
 -0.129344709000  0.035484967100
 -0.078401204800  0.021440330500
  0.558149928000 -0.156197330000
 -0.860304594000  0.263324137000
 -0.260224136000  0.082665593700
  0.883083752000 -0.378282952000
  0.461194047000 -0.350360367000
  0.011497678900  0.681852737000
 -0.002759638720  0.529967475000
* p-type functions
   10    1
       2506.60479000
        557.34265300
        169.17130300
         24.86066200
         10.07045830
          6.83503524
          3.15910931
       7310.47034e-4
       3329.85955e-4
       1364.96722e-4
 -0.002922583185
 -0.021709191690
 -0.058635794896
  0.189215989423
  0.164467754806
 -0.283431205386
 -0.393269808523
  0.557200274887
  0.503840522713
  0.095702183058
* d-type functions
    9    1
        333.20492200
         96.43204290
         34.48911910
          6.35408788
          3.18236677
       7081.45843e-4
       2986.22789e-4
       1234.99156e-4
       4935.89201e-5
  0.005454363873
  0.030580603538
  0.064100275084
 -0.123510419625
 -0.134401025445
  0.292289193456
  0.459721436873
  0.351045956707
  0.108589413523
* f-type functions
    8    1
        125.38089500
         42.55411260
         17.16012220
          7.55941222
          3.40130324
          1.51973496
       6510.08226e-4
       2523.23495e-4
  0.006532328610
  0.041683405670
  0.141459693740
  0.286789991598
  0.368348518449
  0.321879365402
  0.189110715976
  0.058187056622
* g-type functions
    3    1
         14.77000000
          3.86000000
          1.00700000
  0.389980786000
  0.616798462000
  0.395646197000
********************************************************************************
* Core AIMP: SmQR(7K)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.8422722000e5  9.9835852000e4  2.9767085000e4  9.9888236000e3  3.6326361000e3  1.3517390000e3  5.1004100000e2  2.2935454000e2 77.835211000000 38.980869000000  7.155019200000
  3.932676300000  1.977685400000
  0.030993365000  0.028841450625  0.047923701250  0.076767318750  0.108707831250  0.133431381250  0.234398493750  0.307760125000  0.254774831250  0.702925625000  0.596999881250
  0.320556131250  0.030919862500
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.4683422000e3  5.7585746000e2  1.3018083000e2 27.907835000000
     891200.00000000
     110050.00000000
      23960.00000000
       6965.00000000
       2424.00000000
        954.90000000
        409.50000000
        166.40000000
         80.82000000
         40.09000000
         20.03000000
         10.46000000
          4.99600000
          2.56800000
          1.19800000
  0.003491865100  0.001280289000  0.000590503150  0.000283613980
  0.014309798000  0.005382006100  0.002503547400  0.001191333700
  0.048271622000  0.018432400000  0.008550198600  0.004117262700
  0.133772710000  0.053920236000  0.025365948000  0.012092569000
  0.285614170000  0.125927970000  0.059784010000  0.028978801000
  0.394118570000  0.217891450000  0.108353440000  0.052136908000
  0.260678080000  0.160895700000  0.081991108000  0.041246725000
  0.039334197000 -0.295348280000 -0.213022140000 -0.115666320000
 -0.016196652000 -0.607934160000 -0.603094640000 -0.338059700000
 -0.000373492630 -0.262771390000 -0.230929500000 -0.158226490000
  0.002345098100 -0.014572280000  0.746520270000  0.730061320000
  0.005674103400  0.001404998700  0.581266190000  0.757250480000
 -0.001720001600  0.000028128583  0.066430337000 -0.620054920000
 -0.001484407500 -0.001147087100 -0.000967081770 -0.833276450000
 -0.000320323800 -0.000140493400  0.000073385994 -0.115874550000
   12    3
  5.1403827000e2  1.1035462000e2 21.162955000000
       9965.00000000
       2404.00000000
        820.20000000
        331.90000000
        148.70000000
         71.03000000
         34.39000000
         17.57000000
          9.06600000
          4.63100000
          2.33400000
          1.07500000
  0.004477788300  0.002227975300  0.001053224100
  0.027377173000  0.013719008000  0.006466478100
  0.104925480000  0.054508887000  0.025985928000
  0.265667600000  0.144905650000  0.069654376000
  0.405778540000  0.236731090000  0.116141210000
  0.301920210000  0.108578980000  0.041955534000
  0.074568187000 -0.338589310000 -0.239241360000
 -0.002182601500 -0.557630340000 -0.440076490000
  0.000202213590 -0.228568100000  0.023614120000
  0.000422020210 -0.020199887000  0.617735930000
  0.001065643000 -0.000740058220  0.462059470000
  0.000089891633  0.000211262610  0.068397024000
   10    2
 83.173637000000 11.388885000000
       1074.00000000
        334.70000000
        134.30000000
         60.71000000
         29.13000000
         14.54000000
          7.23900000
          3.56600000
          1.71200000
          0.74490000
  0.004336376300  0.002068360700
  0.030728060000  0.014516829000
  0.119156550000  0.058069055000
  0.284740340000  0.138541480000
  0.406582360000  0.190242430000
  0.293239300000  0.037268715000
  0.079502008000 -0.327177330000
  0.004198699200 -0.494151690000
  0.000193554490 -0.277469940000
 -0.000094795009 -0.045650453000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SmQR(7K)-[Kr,4d]
End of Spectral Representation Operator

/Eu.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.17el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
EUROPIUM (14s,10p,9d,8f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Kr,4d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on EuQR(10D)
********************************************************************************
    17.0   4
* s-type functions
   14    2
    1770245.74000000
     141778.92600000
      20230.04710000
       3785.47362000
        920.64043000
        110.17208000
         63.02156910
         16.27498390
          3.34546864
          1.76522438
       6321.59842e-4
       2764.82986e-4
       5169.51162e-5
       2201.11326e-5
 -0.000073893971 -0.000019453847
 -0.000512386616 -0.000134886303
 -0.002803975690 -0.000738281197
 -0.013775173300 -0.003625808600
 -0.029950797600 -0.007892275540
  0.118958208000  0.031435693700
  0.081018816200  0.021515195000
 -0.533715238000 -0.144196760000
  0.862497927000  0.256093897000
  0.219343970000  0.058274772000
 -0.850305099000 -0.327419130000
 -0.485294521000 -0.338601824000
 -0.016336157900  0.704195354000
  0.000740107132  0.474531746000
* p-type functions
   10    1
       2614.86708000
        580.35346500
        175.96854200
         25.89625800
         10.99717910
          6.69695224
          3.21423128
       7445.46257e-4
       3333.09575e-4
       1375.17625e-4
 -0.002749607980
 -0.020702936635
 -0.056039226120
  0.180032218576
  0.119029594199
 -0.247828953016
 -0.355836226262
  0.513167110513
  0.519279810953
  0.123864796098
* d-type functions
    9    1
        348.42012700
        100.92708600
         36.14728820
          6.51729455
          3.17875739
          0.71014574
       2779.44624e-4
          0.10007057
       3443.55143e-5
  0.003870629272
  0.020864267739
  0.044012794270
 -0.088482371658
 -0.089113098370
  0.194459662319
  0.365047385078
  0.448781772586
  0.281784826110
* f-type functions
    8    1
        133.92580100
         45.47987550
         18.37375210
          8.08455496
          3.60560423
          1.57317112
       6414.59525e-4
       2270.91571e-4
  0.006024674788
  0.039327341385
  0.134630902083
  0.276794444623
  0.362902317751
  0.331203792730
  0.211863486002
  0.081613689766
* g-type functions
    3    1
         14.21000000
          3.61000000
          0.88700000
  0.413926285000
  0.617057922000
  0.389928602000
********************************************************************************
* Core AIMP: EuQR(10D)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.9892306000e5  1.0270121000e5  3.0580371000e4  1.0246395000e4  3.7215745000e3  1.3858573000e3  5.2550875000e2  2.3725404000e2 80.533676000000 40.616140000000  7.486781200000
  4.077836500000  2.007363600000
  0.029339989412  0.027347303529  0.045469618824  0.072836194118  0.102757629412  0.125800994118  0.221458488235  0.288006929412  0.240985117647  0.658992647059  0.560123676471
  0.303824558824  0.028939235882
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.5927212000e3  5.9860097000e2  1.3515586000e2 28.319995000000
     891000.00000000
     110090.00000000
      23940.00000000
       6941.00000000
       2411.00000000
        949.90000000
        408.70000000
        166.60000000
         80.32000000
         39.30000000
         20.23000000
         10.58000000
          5.09000000
          2.60200000
          1.20500000
  0.003719733800  0.001369911000  0.000634089760  0.000304476420
  0.015102260000  0.005711272200  0.002662565100  0.001267422800
  0.050689163000  0.019464787000  0.009064732800  0.004364198300
  0.139704900000  0.056751005000  0.026765463000  0.012765253000
  0.294435020000  0.131117380000  0.062560331000  0.030328151000
  0.394640550000  0.221622880000  0.110649130000  0.053277673000
  0.247862970000  0.147997860000  0.075524688000  0.038068761000
  0.033377714000 -0.327786170000 -0.241028100000 -0.130986450000
 -0.015810216000 -0.610169020000 -0.618151170000 -0.349132280000
 -0.000331258140 -0.234775210000 -0.176082170000 -0.123988430000
  0.003074461200 -0.005910727000  0.779247900000  0.780084060000
  0.005386972300 -0.000334540310  0.544085700000  0.700878860000
 -0.001821976700  0.000539310990  0.057692077000 -0.667634350000
 -0.001521883800 -0.001391680100 -0.000520231600 -0.799289270000
 -0.000295270790 -0.000081111458  0.000028350370 -0.104955010000
   12    3
  5.3369853000e2  1.1444226000e2 21.299476000000
      10023.00000000
       2416.00000000
        822.80000000
        332.10000000
        148.60000000
         71.04000000
         34.53000000
         17.67000000
          9.08800000
          4.62300000
          2.31100000
          1.04200000
  0.004742266500  0.002368951100  0.001118409200
  0.028851966000  0.014530204000  0.006853479400
  0.110141920000  0.057527936000  0.027411025000
  0.275778470000  0.151483210000  0.072905881000
  0.409521330000  0.239831040000  0.117530400000
  0.289713470000  0.091880728000  0.032286210000
  0.066224631000 -0.364555620000 -0.258957520000
 -0.002453969100 -0.551350250000 -0.434904850000
  0.000051846453 -0.208568790000  0.070293951000
  0.000668482110 -0.015919691000  0.633293180000
  0.000983834500 -0.000735031560  0.431216390000
  0.000085487918  0.000195635480  0.056757134000
   10    2
 86.374230000000 11.216125000000
       1069.00000000
        333.60000000
        133.90000000
         60.48000000
         28.98000000
         14.43000000
          7.13600000
          3.49100000
          1.65800000
          0.70140000
  0.004745612500  0.002265290200
  0.033231810000  0.015689002000
  0.127163000000  0.062048401000
  0.297767370000  0.144633070000
  0.410799510000  0.190241630000
  0.277559400000  0.012159266000
  0.067801417000 -0.356826580000
  0.002850295800 -0.487113910000
  0.000242274230 -0.252854250000
 -0.000064004437 -0.038215143000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
EuQR(10D)-[Kr,4d]
End of Spectral Representation Operator

/Gd.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.18el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
GADOLINIUM (14s,10p,9d,8f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Kr,4d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on GdQR(9D)
********************************************************************************
    18.0   4
* s-type functions
   14    2
    1901009.16000000
     150928.05900000
      21343.06110000
       3962.15119000
        959.68041200
        114.60144200
         65.88561370
         16.96953660
          3.55304073
          2.00235225
       6824.98106e-4
       3122.89913e-4
       6650.57307e-5
       2658.99132e-5
  0.000077476603 -0.000020860895
  0.000534131590 -0.000143803199
  0.002911544250 -0.000784087558
  0.014312850000 -0.003852492460
  0.030936440200 -0.008340479510
 -0.122704108000  0.033237386500
 -0.083970448800  0.022676360300
  0.553813478000 -0.152932321000
 -0.863433884000  0.259840126000
 -0.253781822000  0.080589201700
  0.864828044000 -0.359995153000
  0.482888224000 -0.357620018000
  0.012722741700  0.677552834000
 -0.003177773460  0.529095871000
* p-type functions
   10    1
       2728.36172000
        604.28187700
        182.99780400
         26.89614860
         10.60931600
          7.50296800
          3.42582921
       7984.66774e-4
       3650.56342e-4
          0.15021956
 -0.002825846556
 -0.021647542663
 -0.058751167107
  0.190664861660
  0.180313808203
 -0.305071635135
 -0.383785304863
  0.537555609769
  0.512308546429
  0.106846687913
* d-type functions
    9    1
        364.55653200
        105.48789000
         37.79567450
          6.93189910
          3.43922553
       7767.00692e-4
          0.32701235
          0.13348085
       5167.41309e-5
  0.004881867310
  0.028509824075
  0.060371347251
 -0.117799450881
 -0.123135575545
  0.262667912349
  0.439997655104
  0.380057311948
  0.143570073576
* f-type functions
    8    1
        155.05704800
         52.85551790
         21.57476660
          9.61769912
          4.38336416
          1.97273608
       8433.10977e-4
          0.32213916
  0.005083784676
  0.034503676648
  0.122035717482
  0.263833601660
  0.360616898871
  0.338271842308
  0.213732491189
  0.072252532017
* g-type functions
    3    1
         16.74000000
          4.40000000
          1.15200000
  0.390243441000
  0.616542392000
  0.393723313000
********************************************************************************
* Core AIMP: GdQR(9D)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.1383902000e5  1.0562244000e5  3.1419376000e4  1.0523937000e4  3.8265786000e3  1.4301514000e3  5.4513531000e2  2.4685627000e2 84.428538000000 42.567209000000  7.813490600000
  4.263483000000  2.126662700000
  0.027887137778  0.026028715000  0.043280170556  0.069204972222  0.097139638889  0.118610194444  0.208830716667  0.271529538889  0.223731355556  0.625941166667  0.538017444444
  0.280058533333  0.025295957778
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.7210609000e3  6.2333085000e2  1.4182383000e2 30.247953000000
     890299.98000000
     110156.66000000
      23906.41000000
       6913.03540000
       2397.24910000
        944.90895000
        407.78372000
        166.83462000
         79.98913300
         38.86782000
         20.21366400
         10.58465400
          5.10370180
          2.61342830
          1.20500000
  0.003958630200  0.001464468900  0.000679815200  0.000327920930
  0.015932597000  0.006057324300  0.002831333600  0.001354018500
  0.053230954000  0.020558700000  0.009604360100  0.004645533500
  0.145839830000  0.059697335000  0.028241118000  0.013532538000
  0.303106970000  0.136354680000  0.065326405000  0.031828933000
  0.394438210000  0.224873380000  0.112814260000  0.054581323000
  0.235122440000  0.134224160000  0.068174402000  0.034642551000
  0.027838709000 -0.359423250000 -0.268565820000 -0.146970460000
 -0.015371385000 -0.606302360000 -0.628333790000 -0.358952320000
 -0.000309317140 -0.209560810000 -0.112808620000 -0.082712091000
  0.003947715200 -0.001405612700  0.810457780000  0.841437470000
  0.004968699300 -0.000505594860  0.497474020000  0.627240510000
 -0.002005769600  0.000353965270  0.047394804000 -0.741704200000
 -0.001521381800 -0.001360200300 -0.000405552240 -0.748145280000
 -0.000247452960 -0.000065744157 -0.000057793915 -0.084001143000
   12    3
  5.5517597000e2  1.2017628000e2 22.897708000000
       9953.79030000
       2404.18260000
        819.89896000
        331.61232000
        148.67510000
         71.10496900
         34.41708300
         17.60604700
          9.01458660
          4.63878530
          2.34806120
          1.07760000
  0.005104906300  0.002563213600  0.001214264400
  0.030768075000  0.015556164000  0.007393884100
  0.116001090000  0.060971895000  0.029191883000
  0.284917510000  0.157422720000  0.076382697000
  0.411459590000  0.242095430000  0.119047100000
  0.278745540000  0.073572325000  0.022040580000
  0.058542231000 -0.395691290000 -0.286021290000
 -0.003213871700 -0.541341230000 -0.426163810000
  0.000212167280 -0.184742400000  0.122766670000
  0.000755127270 -0.011532018000  0.638414840000
  0.000961857800 -0.000884398080  0.399767370000
  0.000077283528  0.000254026300  0.050056032000
   10    2
 91.175240000000 12.410240000000
       1080.35740000
        335.73365000
        134.51755000
         60.72932900
         29.14513700
         14.56861500
          7.28021070
          3.60128200
          1.73533000
          0.75407000
  0.005051513200  0.002430277500
  0.035347694000  0.016898597000
  0.134032220000  0.066076549000
  0.307711640000  0.151166130000
  0.411114330000  0.190031530000
  0.263823450000 -0.004398578900
  0.061499114000 -0.367666560000
  0.002717858100 -0.478887700000
  0.000136448540 -0.241760620000
 -0.000050966711 -0.035550570000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
GdQR(9D)-[Kr,4d]
End of Spectral Representation Operator

/Tb.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.19el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
TERBIUM (14s,10p,9d,8f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Kr,4d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on TbQR(8H)
********************************************************************************
    19.0   4
* s-type functions
   14    2
    2104999.52000000
     164479.40300000
      22840.03120000
       4174.38942000
       1003.82906000
        118.28563600
         67.42949160
         17.73624880
          3.68289362
          1.93179857
       7241.69569e-4
       3287.40688e-4
       6860.63973e-5
       2736.32823e-5
 -0.000076890585 -0.000020633200
 -0.000529872355 -0.000142175540
 -0.002901102640 -0.000778632315
 -0.014357589100 -0.003851526260
 -0.030966358200 -0.008320029180
  0.126160517000  0.034057048100
  0.081343535000  0.021883296500
 -0.553694258000 -0.152322794000
  0.890174160000  0.266711961000
  0.238205958000  0.076435783000
 -0.858523462000 -0.352300529000
 -0.501897637000 -0.365587577000
 -0.013646167600  0.677061604000
  0.003479445090  0.527406467000
* p-type functions
   10    1
       2845.16391000
        628.86833100
        190.20489500
         27.93396790
         10.59443090
          8.05799114
          3.58328876
          0.83129728
       3795.25143e-4
       1561.32624e-4
 -0.002782958118
 -0.021660480969
 -0.058935814519
  0.192132776981
  0.230952508063
 -0.355202490216
 -0.383379818310
  0.534429234539
  0.513081223876
  0.108739925115
* d-type functions
    9    1
        380.83411000
        110.20340800
         39.52713960
          7.22177336
          3.55376899
       8135.14857e-4
       3421.81104e-4
       1376.66008e-4
       5183.02092e-5
  0.004702192119
  0.026824037258
  0.057082785174
 -0.112491314751
 -0.114727115604
  0.241099038196
  0.425008122612
  0.400341132424
  0.170525732208
* f-type functions
    8    1
        161.42845000
         55.10137030
         22.53290920
         10.04408000
          4.55917350
          2.03518443
       8606.23121e-4
       3256.77398e-4
  0.005161426340
  0.035055329209
  0.123876459501
  0.266803428074
  0.362457003542
  0.337569070135
  0.211981486244
  0.071659159887
* g-type functions
    3    1
         17.45000000
          4.57000000
          1.18600000
  0.395601406000
  0.616349388000
  0.391351163000
********************************************************************************
* Core AIMP: TbQR(8H)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.3040532000e5  1.0910249000e5  3.2477890000e4  1.0886378000e4  3.9619731000e3  1.4831486000e3  5.6680937000e2  2.5710108000e2 88.373104000000 44.485671000000  8.167485900000
  4.455660400000  2.219431200000
  0.026529543158  0.024744410526  0.041116837368  0.065656842105  0.091991515789  0.112267952632  0.197277284211  0.257225768421  0.209567121053  0.595428315789  0.510902510526
  0.264621173684  0.023723373158
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.8514879000e3  6.4799991000e2  1.4791836000e2 31.504777000000
     891600.00000000
     110180.00000000
      24010.00000000
       6982.00000000
       2431.00000000
        959.00000000
        413.90000000
        169.80000000
         80.86000000
         38.41000000
         20.52000000
         10.76000000
          5.24000000
          2.68200000
          1.23400000
  0.004213525300  0.001566104600  0.000729479300  0.000352534400
  0.016774998000  0.006411154100  0.003002307200  0.001439910100
  0.055233729000  0.021454818000  0.010061169000  0.004875936200
  0.149149940000  0.061470350000  0.029140045000  0.014003486000
  0.306707930000  0.138970360000  0.066878266000  0.032652279000
  0.394189390000  0.226547100000  0.113885390000  0.055280535000
  0.228720360000  0.126210630000  0.064200183000  0.032660548000
  0.024778828000 -0.377438370000 -0.286290120000 -0.157049630000
 -0.015226310000 -0.608106900000 -0.635800370000 -0.366459790000
 -0.000284138020 -0.194358410000 -0.070289318000 -0.052513691000
  0.004563371900  0.006198714200  0.826561780000  0.875460100000
  0.004747980500 -0.002462915800  0.468558310000  0.580494770000
 -0.002108597100  0.001008275000  0.042129923000 -0.770906780000
 -0.001561407200 -0.001655880000 -0.000065435415 -0.724983660000
 -0.000233949540 -0.000004944772 -0.000115548390 -0.077660457000
   12    3
  5.7643795000e2  1.2529951000e2 23.832714000000
      10031.00000000
       2413.00000000
        821.60000000
        331.90000000
        148.70000000
         71.11000000
         34.45000000
         17.63000000
          8.98900000
          4.63500000
          2.35200000
          1.08000000
  0.005395656100  0.002720354500  0.001290321000
  0.032458711000  0.016483247000  0.007867146200
  0.121517710000  0.064218958000  0.030815487000
  0.294478950000  0.163731380000  0.079819708000
  0.413708050000  0.244046400000  0.120086420000
  0.266822610000  0.054551381000  0.011001827000
  0.051297003000 -0.422324540000 -0.309021130000
 -0.003405470200 -0.529479370000 -0.413713220000
  0.000188600090 -0.165239160000  0.172194070000
  0.000933325780 -0.008362895900  0.642917820000
  0.000894204090 -0.000903830480  0.368207200000
  0.000074140463  0.000259890990  0.042659146000
   10    2
 95.351822000000 12.973461000000
       1080.00000000
        335.90000000
        134.50000000
         60.69000000
         29.14000000
         14.56000000
          7.27400000
          3.60100000
          1.73700000
          0.75500000
  0.005461326600  0.002639355200
  0.037864000000  0.018211254000
  0.141987930000  0.070409528000
  0.318951520000  0.157425740000
  0.411733010000  0.188514640000
  0.249190160000 -0.027261678000
  0.053422051000 -0.387697180000
  0.002135958800 -0.469293910000
  0.000106789550 -0.222606260000
 -0.000030283175 -0.030716311000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TbQR(8H)-[Kr,4d]
End of Spectral Representation Operator

/Dy.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.20el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
DYSPROSIUM (14s,10p,9d,8f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Kr,4d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on DyQR(7K)
********************************************************************************
    20.0   4
* s-type functions
   14    2
    2281609.08000000
     176347.58600000
      24200.19370000
       4368.06295000
       1044.89499000
        122.93150300
         70.06305670
         18.50311890
          3.84684307
          1.99995930
       7541.86222e-4
       3410.72172e-4
       7048.17213e-5
       2800.72108e-5
 -0.000077356228 -0.000020628878
 -0.000530938187 -0.000141574948
 -0.002903438010 -0.000774401363
 -0.014463475600 -0.003855791580
 -0.030836158600 -0.008233185060
  0.126138170000  0.033837775000
  0.081495999100  0.021781617500
 -0.552941332000 -0.151117271000
  0.886952300000  0.263665175000
  0.238504577000  0.076263233100
 -0.854680425000 -0.346993881000
 -0.505067553000 -0.365139953000
 -0.013873995400  0.675409771000
  0.003566968090  0.527106415000
* p-type functions
   10    1
       2965.14925000
        654.09691100
        197.59973800
         28.99406490
         10.77795200
          8.43985253
          3.72319662
          0.86697772
       3951.30249e-4
       1620.74936e-4
 -0.002738354565
 -0.021646322131
 -0.059038956644
  0.193190041755
  0.258536478836
 -0.386524123202
 -0.378741976731
  0.528128099615
  0.516662370847
  0.111680926697
* d-type functions
    9    1
        397.04779400
        114.88401400
         41.24148820
          7.55665049
          3.72303118
       8375.22265e-4
       3479.31012e-4
       1384.04222e-4
       5155.32302e-5
  0.004511578403
  0.026018722116
  0.055553188986
 -0.108656853055
 -0.111021946920
  0.238148526688
  0.422110464100
  0.404293681246
  0.178198593487
* f-type functions
    8    1
        171.19924300
         58.43012510
         23.91245710
         10.67139630
          4.84943298
          2.16159238
       9106.98135e-4
       3418.58477e-4
  0.005022102079
  0.034514040970
  0.122922911586
  0.265388624433
  0.361071696731
  0.338143941121
  0.215184230879
  0.075010280402
* g-type functions
    3    1
         18.35000000
          4.80000000
          1.23700000
  0.397116315000
  0.616157552000
  0.391880643000
********************************************************************************
* Core AIMP: DyQR(7K)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.4817435000e5  1.1324491000e5  3.3712402000e4  1.1284126000e4  4.1069959000e3  1.5387829000e3  5.8896049000e2  2.6739315000e2 92.190680000000 46.411483000000  8.520937900000
  4.637759500000  2.302841600000
  0.025266739500  0.023474615000  0.039176793500  0.062451910000  0.087371555000  0.106620935000  0.187105900000  0.244422480000  0.197708420000  0.566955450000  0.487669415000
  0.249881770000  0.021894017000
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.9846209000e3  6.7324662000e2  1.5413639000e2 32.768412000000
     891600.00000000
     110250.00000000
      24130.00000000
       7034.00000000
       2449.00000000
        965.10000000
        416.50000000
        171.80000000
         81.38000000
         37.89000000
         20.57000000
         10.78000000
          5.34000000
          2.73100000
          1.25200000
  0.004484424100  0.001674702900  0.000782529110  0.000378732930
  0.017630028000  0.006773534800  0.003178136000  0.001528575300
  0.057298902000  0.022385895000  0.010535134000  0.005113021200
  0.153388630000  0.063655547000  0.030240235000  0.014575621000
  0.312489940000  0.142767420000  0.069008490000  0.033742207000
  0.394143100000  0.228825690000  0.115327490000  0.056184756000
  0.219622830000  0.115051600000  0.058350419000  0.029663276000
  0.020802114000 -0.399377560000 -0.307634520000 -0.169108030000
 -0.014822743000 -0.605155090000 -0.639978240000 -0.372538230000
 -0.000299647300 -0.177877100000 -0.012943027000 -0.008537775100
  0.005396751100  0.012186529000  0.843697870000  0.915715040000
  0.004304525900 -0.003879988300  0.427024890000  0.512248370000
 -0.002216551600  0.001426641300  0.034438548000 -0.808205960000
 -0.001590662600 -0.001839915100  0.000577392880 -0.693258400000
 -0.000211434310  0.000037931816 -0.000221355800 -0.069389589000
   12    3
  5.9810818000e2  1.3050348000e2 24.763300000000
      10125.00000000
       2429.00000000
        824.70000000
        332.50000000
        148.90000000
         71.25000000
         34.71000000
         17.83000000
          9.11100000
          4.71200000
          2.39800000
          1.10000000
  0.005674145700  0.002870495000  0.001363762400
  0.034076300000  0.017385704000  0.008325903400
  0.127062230000  0.067474367000  0.032453436000
  0.303769160000  0.170000700000  0.083208740000
  0.414963930000  0.244949010000  0.120601460000
  0.254951010000  0.036318185000  0.000162592480
  0.045063652000 -0.441486950000 -0.326237640000
 -0.003233546000 -0.516297440000 -0.400491500000
  0.000027588824 -0.152502380000  0.203721690000
  0.001135703700 -0.007043563200  0.641017230000
  0.000833021940 -0.000818771520  0.350974400000
  0.000083059503  0.000241994470  0.039134591000
   10    2
 99.584200000000 13.525678000000
       1079.00000000
        336.10000000
        134.60000000
         60.69000000
         29.14000000
         14.55000000
          7.26700000
          3.60000000
          1.73800000
          0.75370000
  0.005902211500  0.002862623800
  0.040447831000  0.019568261000
  0.149922160000  0.074721844000
  0.330018090000  0.163599020000
  0.411380690000  0.185864430000
  0.234611920000 -0.050666250000
  0.046251725000 -0.405652730000
  0.001699181600 -0.458174670000
  0.000079595109 -0.204918140000
 -0.000012847888 -0.026528770000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
DyQR(7K)-[Kr,4d]
End of Spectral Representation Operator

/Ho.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.21el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
HOLMIUM (14s,10p,9d,8f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Kr,4d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on HoQR(6L)
********************************************************************************
    21.0   4
* s-type functions
   14    2
    2474642.16000000
     189274.58000000
      25661.84010000
       4564.84343000
       1085.91006000
        127.97246300
         73.12411490
         19.27543260
          4.03413626
          2.16592405
       7763.32304e-4
       3509.36881e-4
       7225.60993e-5
       2860.87434e-5
 -0.000077609780 -0.000020540290
 -0.000530500421 -0.000140390307
 -0.002898378740 -0.000767221095
 -0.014591153400 -0.003860384160
 -0.030567411200 -0.008100094940
  0.124957251000  0.033268717000
  0.082332950500  0.021834632400
 -0.551767738000 -0.149612410000
  0.867192507000  0.255291604000
  0.245682329000  0.077642550500
 -0.850373875000 -0.342519395000
 -0.499515648000 -0.360067240000
 -0.013635157900  0.672381090000
  0.003497880170  0.528293183000
* p-type functions
   10    1
       3087.39989000
        679.71329100
        205.09412300
         30.11311790
         10.92890400
          8.98851238
          3.88900276
       8977.83931e-4
       4076.24001e-4
       1668.87424e-4
 -0.002693303801
 -0.021631504785
 -0.059103911578
  0.193471282565
  0.327597244205
 -0.454029698754
 -0.377497068929
  0.526871861006
  0.516441177373
  0.112374223138
* d-type functions
    9    1
        413.49006800
        119.61645300
         42.97534510
          7.89820051
          3.89469635
       8669.95833e-4
       3576.53141e-4
       1412.15366e-4
       5217.49457e-5
  0.004323628894
  0.025627367134
  0.054863141624
 -0.106639565178
 -0.109129013493
  0.236202912676
  0.420282117875
  0.406947477473
  0.182918951120
* f-type functions
    8    1
        179.05953200
         61.11407210
         25.01472270
         11.15417120
          5.06015824
          2.25277775
       9474.87732e-4
       3542.60717e-4
  0.005028525873
  0.034748434589
  0.124217797153
  0.267736018007
  0.361496071266
  0.335984779908
  0.214377819230
  0.075827253212
* g-type functions
    3    1
         19.25000000
          5.03000000
          1.28900000
  0.399019867000
  0.616103742000
  0.391477776000
********************************************************************************
* Core AIMP: HoQR(6L)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.0173040000e5  1.0677085000e5  3.2494714000e4  1.1054604000e4  4.0677767000e3  1.5332403000e3  5.9519625000e2  2.7344604000e2 94.640589000000 48.241453000000  8.859517100000
  4.790429100000  2.361466100000
  0.025478743333  0.023041450952  0.038172097143  0.060330823810  0.083555295238  0.102032238095  0.179987061905  0.228602757143  0.189079600000  0.537019190476  0.469569019048
  0.234299661905  0.019308248095
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  4.1205061000e3  6.9909076000e2  1.6049005000e2 34.047426000000
     890900.00000000
     110700.00000000
      24320.00000000
       7104.00000000
       2478.00000000
        978.20000000
        423.40000000
        175.20000000
         82.90000000
         38.20000000
         20.96000000
         10.99000000
          5.53200000
          2.83100000
          1.29900000
  0.004762638800  0.001787065700  0.000837474620  0.000405856320
  0.018446973000  0.007124786700  0.003349592800  0.001615361600
  0.059305388000  0.023303040000  0.011002910000  0.005346583000
  0.157161810000  0.065665881000  0.031263247000  0.015111444000
  0.316472060000  0.145660990000  0.070687500000  0.034606433000
  0.392457890000  0.229657150000  0.116012550000  0.056712074000
  0.213117750000  0.106259670000  0.053647568000  0.027195857000
  0.018762919000 -0.412609060000 -0.321727830000 -0.177185180000
 -0.015040889000 -0.600898660000 -0.639523230000 -0.375127710000
 -0.000043639612 -0.168944790000  0.021806194000  0.020461774000
  0.005744114100  0.015407393000  0.848348930000  0.932969110000
  0.004240101200 -0.004694155400  0.405092940000  0.477052120000
 -0.002350289200  0.001700553800  0.030643314000 -0.818558620000
 -0.001628455200 -0.001976930600  0.001077634000 -0.683897610000
 -0.000215800800  0.000055150772 -0.000298866370 -0.068177110000
   12    3
  6.2019807000e2  1.3579814000e2 25.697197000000
      10211.00000000
       2453.00000000
        834.60000000
        337.50000000
        151.50000000
         72.59000000
         35.42000000
         18.20000000
          9.27100000
          4.79700000
          2.44300000
          1.11900000
  0.005956449900  0.003024352200  0.001439334000
  0.035447553000  0.018161484000  0.008723011100
  0.130614890000  0.069682616000  0.033588717000
  0.308005620000  0.173222780000  0.085068732000
  0.414405040000  0.244980800000  0.120716570000
  0.249077250000  0.026387621000 -0.005838666700
  0.042092649000 -0.453280090000 -0.337788410000
 -0.003308642500 -0.509567080000 -0.391988140000
  0.000029305268 -0.143898330000  0.229428830000
  0.001244092900 -0.005697638400  0.640287020000
  0.000810749480 -0.000842297510  0.334916750000
  0.000082754445  0.000247155590  0.035840082000
   10    2
  1.0388127000e2 14.073858000000
       1080.00000000
        336.20000000
        134.60000000
         60.66000000
         29.13000000
         14.53000000
          7.28300000
          3.62100000
          1.75300000
          0.75900000
  0.006360234600  0.003090840900
  0.043213489000  0.021037477000
  0.158199140000  0.079166085000
  0.340790810000  0.169713280000
  0.409983280000  0.181730410000
  0.219887000000 -0.073881483000
  0.039793131000 -0.418444590000
  0.001571878600 -0.445933470000
  0.000001946516 -0.191189460000
  0.000015124511 -0.023721583000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
HoQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Er.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.22el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
ERBIUM (14s,10p,9d,8f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Kr,4d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on ErQR(5L)
********************************************************************************
    22.0   4
* s-type functions
   14    2
    2639937.04000000
     200139.89900000
      26899.74500000
       4806.83520000
       1140.78922000
        131.43260400
         74.59741790
         20.10169820
          4.22721308
          2.32351238
       7987.02859e-4
       3604.59816e-4
        741.21657e-4
       2920.79285e-5
 -0.000079882734 -0.000020980300
 -0.000543738804 -0.000142798211
 -0.002951426210 -0.000775257454
 -0.014464194600 -0.003798033180
 -0.031210789400 -0.008205342750
  0.130135022000  0.034379330600
  0.078163798600  0.020556975900
 -0.552476262000 -0.148602621000
  0.852565971000  0.248572826000
  0.250207969000  0.078324506000
 -0.850414205000 -0.340541391000
 -0.490951734000 -0.353256608000
 -0.013259800900  0.670258564000
  0.003386634730  0.528770567000
* p-type functions
   10    1
       3212.11148000
        705.79964900
        212.72399400
         31.29590720
         11.99874810
          8.91130950
          4.03929272
       9277.66322e-4
       4185.72296e-4
       1705.80315e-4
 -0.002649525843
 -0.021622989819
 -0.059162231039
  0.192832998427
  0.201268455270
 -0.331161232271
 -0.370503210221
  0.528050576442
  0.515684389551
  0.111381230174
* d-type functions
    9    1
        429.40265600
        124.26725300
         44.70458550
          8.26330766
          4.08714461
       8926.27167e-4
       3648.00751e-4
          0.14303812
       5257.00384e-5
  0.004173968007
  0.025381758279
  0.054377137512
 -0.104511336201
 -0.108078769496
  0.237742584385
  0.420593552585
  0.407030605840
  0.183921387889
* f-type functions
    8    1
        187.58534500
         64.06248300
         26.27768420
         11.73489510
          5.32809252
          2.36686191
       9890.85244e-4
       3665.60341e-4
  0.005014156090
  0.034686323481
  0.124215612239
  0.267553206550
  0.360838075006
  0.336454058198
  0.215847159116
  0.077152455690
* g-type functions
    3    1
         20.12000000
          5.25000000
          1.33800000
  0.401619640000
  0.615998775000
  0.390462717000
********************************************************************************
* Core AIMP: ErQR(5L)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.1910480000e5  1.1102871000e5  3.3919993000e4  1.1540896000e4  4.2541152000e3  1.6071105000e3  6.2199555000e2  2.8501002000e2 98.785074000000 50.262836000000  9.235907200000
  4.990547700000  2.455884100000
  0.024353693636  0.021896418636  0.036302039545  0.057389022727  0.079333450000  0.097146986364  0.171326786364  0.219270813636  0.179245713636  0.514148727273  0.448820372727
  0.223358531818  0.018316540909
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  4.2591962000e3  7.2555805000e2  1.6699765000e2 35.354991000000
     891400.00000000
     110870.00000000
      24410.00000000
       7104.00000000
       2465.00000000
        969.00000000
        417.50000000
        176.20000000
         83.25000000
         38.09000000
         20.86000000
         10.90000000
          5.56500000
          2.84500000
          1.29200000
  0.005060367100  0.001908646200  0.000896874490  0.000435170500
  0.019353167000  0.007510786100  0.003538337200  0.001710801600
  0.061735477000  0.024415912000  0.011563737000  0.005625138900
  0.163455240000  0.068750109000  0.032809165000  0.015904037000
  0.325703740000  0.151612910000  0.073886473000  0.036212703000
  0.393053920000  0.232687990000  0.117960620000  0.057883173000
  0.199025840000  0.089328158000  0.044199727000  0.022302496000
  0.012457704000 -0.437147550000 -0.345836730000 -0.190947940000
 -0.013467069000 -0.589795720000 -0.636311370000 -0.376977980000
 -0.000772935870 -0.152476440000  0.089504220000  0.076884389000
  0.007290041900  0.016565159000  0.856054740000  0.966661450000
  0.003210704300 -0.004683049200  0.359851820000  0.389574540000
 -0.002245471200  0.001521249000  0.022911840000 -0.859990380000
 -0.001710811300 -0.001920367000  0.001409569200 -0.639636480000
 -0.000163102740  0.000059996139 -0.000349416360 -0.056722544000
   12    3
  6.4272455000e2  1.4119950000e2 26.646423000000
      10280.00000000
       2460.00000000
        837.90000000
        339.00000000
        152.10000000
         72.81000000
         35.69000000
         18.36000000
          9.32200000
          4.82300000
          2.45400000
          1.11700000
  0.006298226500  0.003207740000  0.001528315000
  0.037271544000  0.019184617000  0.009243959700
  0.135772000000  0.072763003000  0.035137226000
  0.315967780000  0.178786580000  0.088134263000
  0.415144570000  0.245112810000  0.120691960000
  0.238365250000  0.008254983100 -0.016788937000
  0.036586429000 -0.471286740000 -0.354841000000
 -0.003054651500 -0.496555860000 -0.375580650000
 -0.000093461298 -0.131087690000  0.266704910000
  0.001447941700 -0.004098301100  0.638378520000
  0.000731509780 -0.000824232030  0.311324070000
  0.000085613718  0.000242046150  0.030639413000
   10    2
  1.0825788000e2 14.628830000000
       1082.00000000
        336.40000000
        134.50000000
         60.58000000
         29.16000000
         14.58000000
          7.34700000
          3.66900000
          1.78000000
          0.76830000
  0.006833583700  0.003327058900
  0.046118734000  0.022586815000
  0.167010300000  0.083893070000
  0.350987460000  0.175507940000
  0.405781790000  0.175896250000
  0.206138280000 -0.094412101000
  0.035025570000 -0.426343940000
  0.001464316700 -0.435244890000
 -0.000030841835 -0.181100080000
  0.000030028476 -0.021718898000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ErQR(5L)-[Kr,4d]
End of Spectral Representation Operator

/Tm.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.23el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
THULIUM (14s,10p,9d,8f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Kr,4d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on TmQR(4K)
********************************************************************************
    23.0   4
* s-type functions
   14    2
    2851698.90000000
     214137.20700000
      28462.30490000
       5023.54343000
       1186.14863000
        136.49652700
         77.44915680
         20.92882370
          4.39627950
          2.35755226
       8337.45517e-4
       3741.62576e-4
       7586.75126e-5
       2981.82995e-5
 -0.000080438910 -0.000020974973
 -0.000545076816 -0.000142123920
 -0.002952540060 -0.000769990846
 -0.014560064200 -0.003795792970
 -0.031011745100 -0.008094526100
  0.129730316000  0.034025666100
  0.078369556300  0.020458967200
 -0.551102895000 -0.147125413000
  0.856070622000  0.247539249000
  0.247007864000  0.076973464300
 -0.845914632000 -0.333968941000
 -0.498349060000 -0.354358066000
 -0.013546746800  0.667158387000
  0.003501780630  0.529375015000
* p-type functions
   10    1
       3344.03637000
        733.26097600
        220.70126100
         32.40766830
         11.62311790
          9.71515180
          4.19867524
       9667.04469e-4
       4370.54178e-4
       1787.72277e-4
 -0.002601629644
 -0.021590752913
 -0.059213800705
  0.194070637889
  0.351929115324
 -0.482008273273
 -0.369668254787
  0.519045857567
  0.518804657107
  0.117423255404
* d-type functions
    9    1
        447.05643300
        129.35577600
         46.56167430
          8.58681177
          4.23769712
       9296.20484e-4
       3787.17495e-4
       1474.72712e-4
       5361.90403e-5
  0.003998363873
  0.024940203458
  0.053663354138
 -0.103617412855
 -0.105455810877
  0.232138805470
  0.416523776618
  0.411998060946
  0.192654908230
* f-type functions
    8    1
        211.28182900
         72.07710280
         29.63683440
         13.25387050
          6.03221042
          2.67848760
          1.11470781
       4075.24317e-4
  0.004202711349
  0.030330342672
  0.112542678097
  0.253702284918
  0.356430857328
  0.345274106849
  0.231574621686
  0.089080520918
* g-type functions
    3    1
         21.00000000
          5.47000000
          1.38600000
  0.404202534000
  0.616029807000
  0.389389139000
********************************************************************************
* Core AIMP: TmQR(4K)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.3417450000e5  1.1422166000e5  3.4882937000e4  1.1857535000e4  4.3730329000e3  1.6542934000e3  6.4237249000e2  2.9509329000e2  1.0254115000e2 52.286789000000  9.614469400000
  5.185209400000  2.543782500000
  0.023411353913  0.021054557391  0.034921611739  0.055155521739  0.075931082609  0.092984943478  0.163975556522  0.209098056522  0.170793426087  0.492080086957  0.430562621739
  0.212861300000  0.017169866957
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  4.4007354000e3  7.5266372000e2  1.7366549000e2 36.694874000000
     895700.00000000
     111400.00000000
      24520.00000000
       7163.00000000
       2490.00000000
        978.50000000
        421.90000000
        179.10000000
         84.54000000
         38.02000000
         21.06000000
         11.02000000
          5.61400000
          2.86400000
          1.28200000
  0.005349112500  0.002027276000  0.000955344450  0.000464313200
  0.020299422000  0.007919141800  0.003736915100  0.001810104400
  0.064024674000  0.025473274000  0.012104986000  0.005898775000
  0.167290640000  0.070842468000  0.033868024000  0.016447698000
  0.330214970000  0.154914520000  0.075811372000  0.037228637000
  0.391709520000  0.233617350000  0.118611980000  0.058317858000
  0.191412480000  0.078248204000  0.038137241000  0.019234373000
  0.010056130000 -0.451189780000 -0.361946060000 -0.200620980000
 -0.013548455000 -0.583764270000 -0.631900930000 -0.376549310000
 -0.000415081690 -0.143373030000  0.138465960000  0.118931460000
  0.007705133100  0.020436140000  0.850745330000  0.981613520000
  0.002927421300 -0.005854465300  0.333247950000  0.323748150000
 -0.002409785900  0.001833725800  0.019237932000 -0.890057400000
 -0.001675218100 -0.002053982900  0.001243247300 -0.600147880000
 -0.000139406100  0.000100976930 -0.000326156050 -0.047029309000
   12    3
  6.6569372000e2  1.4671156000e2 27.614107000000
      10441.00000000
       2493.00000000
        847.50000000
        342.80000000
        153.90000000
         73.66000000
         36.13000000
         18.59000000
          9.43000000
          4.86900000
          2.47300000
          1.11800000
  0.006543749200  0.003344773500  0.001596515600
  0.038635665000  0.019963552000  0.009642485000
  0.140003900000  0.075368114000  0.036474226000
  0.321807810000  0.182978180000  0.090462873000
  0.414768890000  0.244843760000  0.120594290000
  0.230791420000 -0.006177357600 -0.025864681000
  0.032818959000 -0.486533230000 -0.369379310000
 -0.003030876500 -0.484465550000 -0.360496600000
 -0.000081562039 -0.120664800000  0.298179300000
  0.001571008000 -0.003232207000  0.635753170000
  0.000687271100 -0.000717427450  0.291251570000
  0.000083382608  0.000218880020  0.026545693000
   10    2
  1.1271699000e2 15.193417000000
       1079.00000000
        335.40000000
        134.40000000
         60.70000000
         29.29000000
         14.64000000
          7.39000000
          3.70400000
          1.80300000
          0.77700000
  0.007400847400  0.003611963400
  0.049344652000  0.024297974000
  0.175163100000  0.088332066000
  0.359082980000  0.180169950000
  0.401850470000  0.170094550000
  0.194167210000 -0.115060490000
  0.030565928000 -0.434939440000
  0.001377364300 -0.423033170000
 -0.000072083899 -0.170465460000
  0.000046321181 -0.019857085000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TmQR(4K)-[Kr,4d]
End of Spectral Representation Operator

/Yb.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.24el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
YTTERBIUM (14s,10p,9d,8f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Kr,4d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on YbQR(3H)
********************************************************************************
    24.0   4
* s-type functions
   14    2
    3094284.12000000
     230102.56300000
      30211.51010000
       5228.09043000
       1227.28047000
        142.08490800
         80.58743630
         21.76471650
          4.55988237
          2.36051106
       8639.33698e-4
       3859.93674e-4
       7776.34241e-5
       3047.58264e-5
 -0.000080149619 -0.000020820102
 -0.000540703602 -0.000140447623
 -0.002928528510 -0.000760827072
 -0.014738330900 -0.003827586810
 -0.030368172600 -0.007896457930
  0.127816990000  0.033393354700
  0.079389293000  0.020647598000
 -0.548441837000 -0.145832953000
  0.862389059000  0.248335083000
  0.239964594000  0.074670690800
 -0.848948400000 -0.332941618000
 -0.498314969000 -0.352368345000
 -0.013484106400  0.667183242000
  0.003488490700  0.527942601000
* p-type functions
   10    1
       3479.11938000
        761.23206000
        228.80787000
         33.58609500
         11.56082260
         10.45096680
          4.37046133
       9989.08658e-4
       4499.43644e-4
       1835.79426e-4
  0.002550127299
  0.021572298174
  0.059276666605
 -0.194492626599
 -0.652553351668
  0.782050718884
  0.368060348739
 -0.518454224979
 -0.518609820361
 -0.117562990444
* d-type functions
    9    1
        464.37046400
        134.34237800
         48.39683970
          8.94958009
          4.41395140
       9570.19821e-4
       3863.66045e-4
       1486.11484e-4
       5322.16152e-5
  0.003853017749
  0.024096086205
  0.051936335145
 -0.099681324781
 -0.101773998420
  0.225915928560
  0.410852281779
  0.418375753028
  0.204751386959
* f-type functions
    8    1
        216.93554300
         74.05562530
         30.46866590
         13.63473620
          6.20378946
          2.75192771
          1.14321936
       4168.98991e-4
  0.004345309248
  0.031313058301
  0.115617685648
  0.257587695294
  0.357299885983
  0.342425649018
  0.228393753598
  0.087964518487
* g-type functions
    3    1
         22.00000000
          5.73000000
          1.44500000
  0.404728839000
  0.615938336000
  0.390012427000
********************************************************************************
* Core AIMP: YbQR(3H)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.5009884000e5  1.1768778000e5  3.5959624000e4  1.2229818000e4  4.5122878000e3  1.7080027000e3  6.6448718000e2  3.0572952000e2  1.0651533000e2 54.374644000000 10.013288000000
  5.401154500000  2.646868700000
  0.022530161250  0.020252053750  0.033569301250  0.052949116667  0.072780512500  0.089161433333  0.157146200000  0.200029604167  0.162813204167  0.472176166667  0.412292629167
  0.204400704167  0.016565593333
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  4.5451610000e3  7.8041413000e2  1.8048980000e2 38.063100000000
     906400.00000000
     113140.00000000
      24920.00000000
       7249.00000000
       2515.00000000
        987.70000000
        425.40000000
        182.40000000
         86.19000000
         38.47000000
         21.27000000
         11.04000000
          5.72200000
          2.92400000
          1.30700000
  0.005620689300  0.002140756600  0.001011258000  0.000492036510
  0.021005080000  0.008234794600  0.003893666700  0.001890208600
  0.065927702000  0.026386671000  0.012573020000  0.006132870400
  0.171643880000  0.073140442000  0.035044640000  0.017060501000
  0.334938680000  0.158409240000  0.077787811000  0.038236490000
  0.390363670000  0.234249650000  0.119209060000  0.058794755000
  0.183927360000  0.067219264000  0.031745420000  0.015818284000
  0.007294571000 -0.462623410000 -0.375150540000 -0.208360410000
 -0.013272610000 -0.576470040000 -0.626854190000 -0.376146140000
 -0.000388569660 -0.136129430000  0.180353040000  0.158466250000
  0.008397768500  0.021889876000  0.851897280000  0.996467200000
  0.002477029600 -0.006479788300  0.305163670000  0.263861320000
 -0.002468800900  0.002090011000  0.013894684000 -0.905419970000
 -0.001700035300 -0.002165276800  0.001761201200 -0.574466170000
 -0.000125444500  0.000124789170 -0.000402550540 -0.043193191000
   12    3
  6.8910253000e2  1.5232814000e2 28.596108000000
      10457.00000000
       2491.00000000
        846.70000000
        342.20000000
        153.60000000
         73.50000000
         36.34000000
         18.77000000
          9.51100000
          4.90800000
          2.49100000
          1.12000000
  0.006951896000  0.003562914300  0.001703279400
  0.040780108000  0.021171755000  0.010250827000
  0.146452980000  0.079184646000  0.038399017000
  0.331320810000  0.189626060000  0.094045934000
  0.413941560000  0.243164130000  0.119583770000
  0.218161340000 -0.027909264000 -0.039466551000
  0.027455497000 -0.500745660000 -0.383660670000
 -0.002631987800 -0.468717710000 -0.340411170000
 -0.000212423620 -0.110554080000  0.329736860000
  0.001761567000 -0.002179672800  0.630136660000
  0.000612098060 -0.000717651980  0.271562570000
  0.000088410483  0.000218013120  0.023099771000
   10    2
  1.1725153000e2 15.763924000000
       1079.00000000
        335.40000000
        134.40000000
         60.75000000
         29.40000000
         14.72000000
          7.44200000
          3.73400000
          1.81600000
          0.77750000
  0.007950611800  0.003888825200
  0.052515028000  0.025990241000
  0.183812160000  0.093020395000
  0.367431700000  0.184886550000
  0.396165260000  0.162938800000
  0.182482170000 -0.134635130000
  0.026951141000 -0.442514470000
  0.001239159100 -0.412436260000
 -0.000078382927 -0.159722860000
  0.000052139818 -0.017634644000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
YbQR(3H)-[Kr,4d]
End of Spectral Representation Operator

/Lu.CG-AIMP.Seijo.14s10p9d8f3g.2s1p1d1f1g.ECP.25el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
LUTETIUM (14s,10p,9d,8f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Kr,4d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p9d8f) optimized in HF CG-AIMP calcn. on LuQR(2D)
********************************************************************************
    25.0   4
* s-type functions
   14    2
    3354445.51000000
     246653.38200000
      31974.99940000
       5529.10070000
       1291.88235000
        144.91515200
         80.54837370
         22.67860910
          4.76954934
          2.55330247
       8990.48259e-4
       4016.90938e-4
       8082.07981e-5
        315.84208e-4
 -0.000081536773 -0.000021185172
 -0.000548716610 -0.000142563245
 -0.002962736340 -0.000769864136
 -0.014598945300 -0.003792534730
 -0.030990445600 -0.008058699230
  0.135941687000  0.035526020400
  0.072749752500  0.018895842000
 -0.549625273000 -0.146098922000
  0.845093126000  0.242699389000
  0.250168834000  0.078159880600
 -0.834827793000 -0.326541747000
 -0.505917185000 -0.357414608000
 -0.014204526700  0.665241177000
  0.003676205400  0.530416371000
* p-type functions
   10    1
       3613.03329000
        788.84304200
        236.83105700
         34.97328680
         13.46187700
         10.23599180
          4.58384160
          1.02413447
       4593.02442e-4
       1868.66928e-4
 -0.002508745819
 -0.021588900407
 -0.059339897909
  0.191744546531
  0.212832015119
 -0.334419636981
 -0.369267618426
  0.523032152968
  0.514626455840
  0.114926177270
* d-type functions
    9    1
        482.20584600
        139.51120400
         50.30167410
          9.31397363
          4.59198934
       9697.11305e-4
       3831.12239e-4
       1438.29312e-4
       5024.99166e-5
  0.003662783419
  0.022385790874
  0.048368851410
 -0.092205745066
 -0.094419410031
  0.216698560867
  0.402069820536
  0.428079463120
  0.225158720818
* f-type functions
    8    1
        226.96369700
         77.48624590
         31.90399690
         14.28171460
          6.49645053
          2.87797100
          1.19299291
       4337.07639e-4
  0.004322373769
  0.031187683250
  0.115634556054
  0.257949815999
  0.357474004092
  0.342174661986
  0.228575938510
  0.088664226458
* g-type functions
    3    1
         22.87000000
          5.95000000
          1.49700000
  0.407947825000
  0.615755802000
  0.387663253000
********************************************************************************
* Core AIMP: LuQR(2D)-[Kr,4d]  (14s10p9d8f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.6037275000e5  1.1901567000e5  3.6180806000e4  1.2283550000e4  4.5475820000e3  1.7260101000e3  6.7640713000e2  3.1366368000e2  1.0967567000e2 56.415790000000 10.401055000000
  5.592071200000  2.728736100000
  0.021876792800  0.019802614400  0.032855119200  0.051516040000  0.070008076000  0.086082316000  0.151954832000  0.189504312000  0.156450388000  0.451984520000  0.397392624000
  0.195152316000  0.015420035600
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  4.6925203000e3  8.0882520000e2  1.8747653000e2 39.463790000000
     905800.00000000
     112930.00000000
      24850.00000000
       7227.00000000
       2507.00000000
        983.10000000
        421.10000000
        184.00000000
         87.06000000
         38.77000000
         21.31000000
         10.97000000
          5.75000000
          2.93700000
          1.29400000
  0.005968632300  0.002285638500  0.001082390800  0.000527174370
  0.022132528000  0.008717649700  0.004129381200  0.002008825200
  0.068923799000  0.027780260000  0.013275951000  0.006481447300
  0.177773220000  0.076256434000  0.036613448000  0.017865678000
  0.341972140000  0.163551850000  0.080641552000  0.039675947000
  0.388908510000  0.235042830000  0.119879880000  0.059315526000
  0.172269540000  0.050431535000  0.021925996000  0.010593230000
  0.002551667800 -0.480060950000 -0.394757280000 -0.219803630000
 -0.012263862000 -0.563785170000 -0.617296890000 -0.373510860000
 -0.000575959950 -0.124150500000  0.237626710000  0.212092740000
  0.009386547700  0.020968820000  0.846014160000  1.007597300000
  0.001684328100 -0.006010828900  0.272455240000  0.182008070000
 -0.002423337700  0.001751052400  0.008727171000 -0.925933130000
 -0.001721599200 -0.002038692300  0.002007246400 -0.533380500000
 -0.000090406728  0.000114019110 -0.000432704050 -0.035606811000
   12    3
  7.1295695000e2  1.5805266000e2 29.596045000000
      10544.00000000
       2506.00000000
        850.90000000
        344.40000000
        154.90000000
         74.16000000
         36.74000000
         18.98000000
          9.62000000
          4.96100000
          2.51600000
          1.12400000
  0.007292542500  0.003749211100  0.001795084900
  0.042657333000  0.022237124000  0.010789130000
  0.151766820000  0.082418828000  0.040043015000
  0.337448710000  0.194137560000  0.096540576000
  0.412063760000  0.241276990000  0.118520810000
  0.209754680000 -0.044238337000 -0.049949593000
  0.023982329000 -0.514010680000 -0.396918030000
 -0.002531370300 -0.455026940000 -0.321817480000
 -0.000185271670 -0.101160040000  0.357714190000
  0.001864463300 -0.001759627500  0.623190600000
  0.000573857690 -0.000578113880  0.254995320000
  0.000087368463  0.000186582650  0.020339956000
   10    2
  1.2186387000e2 16.343905000000
       1080.00000000
        335.40000000
        134.50000000
         60.82000000
         29.45000000
         14.72000000
          7.43500000
          3.73900000
          1.83000000
          0.78860000
  0.008528807700  0.004179960900
  0.055794033000  0.027743557000
  0.192289000000  0.097617294000
  0.376014200000  0.189653330000
  0.391076910000  0.155048990000
  0.170345400000 -0.157524120000
  0.023007279000 -0.451092070000
  0.001127887300 -0.397120600000
 -0.000101596250 -0.147997200000
  0.000061458290 -0.016220507000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
LuQR(2D)-[Kr,4d]
End of Spectral Representation Operator

********************************************************************************
*         C.1.3.1.b. Lanthanide Elements (core [Kr])
********************************************************************************

/Ce.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.22el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
CERIUM (14s,10p,10d,8f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Kr], [6s5p6d4f1g] recommended
*
* CeQR5I CeQR5I-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: CeQR5I-[Kr]
* mv+dw from CeQR(5I)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  CeQR5I CeQR5I-[Kr] (14s10p10d8f)
*            0.7*Bk(3d) rather than so-correct the basis set
********************************************************************************
    22.0   4
* s-type functions
   14    2
     926421.11400000
      81012.40610000
      12742.49520000
       2768.76121000
        731.17338400
         93.15149530
         55.41667820
         12.84432790
          2.71513670
          1.74188058
       5165.54223e-4
       2359.91248e-4
       5303.54891e-5
       2234.67556e-5
  0.000090722080 -0.000025223483
  0.000638220624 -0.000177447855
  0.003354636780 -0.000932721475
  0.013559673400 -0.003770815630
  0.032068164900 -0.008923352550
 -0.106081986000  0.029647455900
 -0.096484098800  0.027009307400
  0.553878082000 -0.158423537000
 -0.807713701000  0.255689770000
 -0.318410535000  0.098437414200
  0.902620530000 -0.400465300000
  0.444190333000 -0.342796241000
  0.009717842320  0.705330430000
 -0.003849022810  0.509092969000
* p-type functions
   10    1
       2088.55133000
        469.00692000
        143.28039200
         21.24068470
         10.54213890
          5.06324752
          2.61661871
       6030.71475e-4
       2708.76397e-4
       1096.56887e-4
 -0.003312902540
 -0.021549136200
 -0.057306043400
  0.174916061000
  0.097223554800
 -0.207765138000
 -0.395265454000
  0.585576256000
  0.489718059000
  0.083125626600
* d-type functions
   10    2
        567.94528800
        166.44315000
         61.47660960
         24.93685770
          4.98851255
          2.31557568
          1.05697583
       4326.52042e-4
       1602.25589e-4
       5544.77651e-5
 -0.005328258240  0.001266223380
 -0.039183834500  0.009031594840
 -0.138198825000  0.033182373600
 -0.223332998000  0.049680564800
  0.433129947000 -0.127907379000
  0.489689525000 -0.129316176000
  0.178754331000  0.060777626300
  0.014160563200  0.380575658000
 -0.000044323895  0.503369056000
 -0.000030857323  0.291446291000
* f-type functions
    8    1
        104.51740600
         35.26094330
         13.86538260
          5.80002183
          2.44000248
          1.02125527
       4084.02332e-4
       1450.27752e-4
  0.005378746900
  0.035849916500
  0.129538002000
  0.287015883000
  0.384146581000
  0.334264501000
  0.202498843000
  0.074023909200
* g-type functions
    3    1
         10.08000000
          2.53000000
          0.61700000
  0.410088012000
  0.617701017000
  0.397316307000
********************************************************************************
* Core AIMP: CeQR5I CeQR5I-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.1728784000e5  1.0372518000e5  2.9985380000e4  9.8207543000e3  3.5263868000e3  1.3190055000e3  4.9190186000e2  2.1897081000e2 86.293955000000 37.152777000000 22.398201000000
  5.909448200000  3.113624700000
  0.019092771818  0.018413311364  0.031004292727  0.050429190909  0.072464645455  0.086733245455  0.143304731818  0.217050486364  0.107089150000  0.426538304545  0.143285263636
  0.259885750000  0.061072490909
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  2.9938427000e3  4.8738373000e2  1.0823217000e2 23.255476000000
     890439.98000000
     109876.66000000
      23933.41000000
       6976.03540000
       2427.04910000
        950.40895000
        401.88372000
        165.39461000
         81.05913300
         40.22782000
         18.02666400
          9.36565400
          4.32970180
          2.24152830
          1.05040000
  0.002693328500  0.000971664670  0.000440954520  0.000209313870
  0.011473578000  0.004217595900  0.001943971100  0.000911725890
  0.039758536000  0.014874456000  0.006779744600  0.003225595400
  0.113673810000  0.044400370000  0.020667440000  0.009709068000
  0.255516930000  0.108815210000  0.050593398000  0.024199222000
  0.389703210000  0.203039390000  0.099377185000  0.047081312000
  0.302518290000  0.199078120000  0.099718060000  0.049225380000
  0.062126380000 -0.175407760000 -0.116366160000 -0.062573575000
 -0.014727254000 -0.593439040000 -0.541947260000 -0.292504580000
 -0.001426918200 -0.370002080000 -0.382149990000 -0.240728890000
  0.000932640370 -0.041669392000  0.643843880000  0.583144280000
  0.005564311700  0.007313055300  0.666751750000  0.856147650000
 -0.001279627600 -0.002023040600  0.088001765000 -0.488894280000
 -0.001283272100 -0.000055172390 -0.002893327600 -0.901074680000
 -0.000343519070 -0.000350570910  0.000425509850 -0.144864960000
   12    3
  4.3653059000e2 91.619800000000 17.610789000000
      10143.79000000
       2441.18260000
        834.09896000
        336.91232000
        149.47510000
         70.28496900
         33.51708300
         16.76604700
          8.55958660
          4.20978530
          2.08206120
          0.94810000
  0.003325914800  0.001622080100  0.000762882630
  0.020882892000  0.010260917000  0.004723706700
  0.082807274000  0.041929074000  0.019758896000
  0.225358290000  0.119424140000  0.056023536000
  0.390620180000  0.222047550000  0.107650470000
  0.348799420000  0.165146590000  0.072232800000
  0.110014020000 -0.240799410000 -0.163785940000
  0.001115674300 -0.572376150000 -0.438718150000
  0.000408999780 -0.303444240000 -0.106595430000
 -0.000124737430 -0.035732657000  0.582019780000
  0.001136478500 -0.000204965340  0.532902870000
  0.000067991170  0.000086170296  0.087219859000
   10    1
 47.474860000000
       1050.35740000
        326.73365000
        132.11755000
         60.42932900
         29.24513700
         14.57861500
          7.27021070
          3.51128200
          1.64933000
          0.70407000
  0.003240571500
  0.023497608000
  0.093127076000
  0.235374050000
  0.380617470000
  0.346953800000
  0.130688670000
  0.012372521000
 -0.000126033580
 -0.000112220020
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CeQR(5I)-[Kr,4d]
End of Spectral Representation Operator

/Pr.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.23el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
PRASEODYMIUM (14s,10p,10d,8f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Kr], [6s5p6d4f1g] recommended
*
* PrQR6L PrQR6L-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: PrQR6L-[Kr]
* mv+dw from PrQR(6L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  PrQR6L PrQR6L-[Kr]      (14s10p10d8f)
*            0.61*Bk(3d) rather than so-correct the basis set
********************************************************************************
    23.0   4
* s-type functions
   14    2
    1085963.55000000
      92545.94510000
      14155.99160000
       2990.86940000
        772.89297400
         96.34782380
         57.30162530
         13.50888910
          2.80463846
          1.64073371
       5238.61054e-4
       2331.87482e-4
       4521.56295e-5
       1951.10115e-5
  0.000083569371 -0.000021701368
  0.000589880127 -0.000153183870
  0.003150043560 -0.000818020175
  0.013099951800 -0.003402489950
  0.031472019400 -0.008178263190
 -0.105955525000  0.027621657000
 -0.091727720200  0.024013780500
  0.535531858000 -0.142766824000
 -0.832903500000  0.244482986000
 -0.256026910000  0.069626871900
  0.871772307000 -0.336593991000
  0.462143009000 -0.336139780000
  0.011961871000  0.707702482000
 -0.002243147920  0.477368881000
* p-type functions
   10    1
       2193.42642000
        490.68857200
        149.51957700
         22.05791600
          9.93350231
          5.43228783
          2.67204639
          0.62015245
       2787.98452e-4
       1153.15271e-4
 -0.003165973930
 -0.020686560300
 -0.055310177000
  0.173780626000
  0.107461136000
 -0.229107080000
 -0.367454362000
  0.537986239000
  0.509952303000
  0.108853213000
* d-type functions
   10    2
        590.17053700
        173.22040000
         64.17025630
         26.14447460
          5.27286946
          2.44736600
          1.10973125
       4227.50427e-4
       1451.19841e-4
       4683.07385e-5
 -0.005383235580  0.001123036680
 -0.039440526400  0.007987920800
 -0.138542192000  0.029189568600
 -0.223184167000  0.043700573700
  0.427979829000 -0.109052462000
  0.487813481000 -0.114160791000
  0.187858965000  0.054023902000
  0.016125998400  0.351492767000
 -0.000665766320  0.503574241000
  0.000101033633  0.352726063000
* f-type functions
    8    1
        103.26038900
         34.47112460
         13.55910450
          5.79549941
          2.50411307
          1.05782110
       4166.22018e-4
       1422.46714e-4
  0.006133281050
  0.040611608000
  0.138819412000
  0.281844796000
  0.366819370000
  0.332328796000
  0.215584280000
  0.089372014600
* g-type functions
    3    1
         10.02000000
          2.46000000
          0.57900000
  0.427384414000
  0.616509211000
  0.393157697000
********************************************************************************
* Core AIMP: PrQR6L PrQR6L-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.4249384000e5  1.1032538000e5  3.2269080000e4  1.0670294000e4  3.8561669000e3  1.4527845000e3  5.4087486000e2  2.3752081000e2 97.091655000000 39.922977000000 24.241391000000
  6.203448200000  3.240423700000
  0.018164686522  0.017270075217  0.028922533043  0.046875656522  0.067904234783  0.081624691304  0.131698630435  0.210431565217  0.100803100000  0.396198639130  0.158041130435
  0.248235873913  0.059046578261
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.1081452000e3  5.0813216000e2  1.1289924000e2 23.793528000000
     889600.00000000
     110030.00000000
      24130.00000000
       7038.00000000
       2447.00000000
        958.20000000
        406.00000000
        164.90000000
         81.13000000
         40.48000000
         18.67000000
          9.71000000
          4.53900000
          2.32900000
          1.08500000
  0.002883949100  0.001044138800  0.000476019790  0.000225995770
  0.012069064000  0.004464711500  0.002062617500  0.000969016200
  0.041345970000  0.015534758000  0.007114977900  0.003385872400
  0.117490910000  0.046261714000  0.021589075000  0.010160092000
  0.261852490000  0.112270820000  0.052489359000  0.025115541000
  0.391492540000  0.206885910000  0.101621300000  0.048249964000
  0.294558210000  0.191440520000  0.096463850000  0.047642323000
  0.057143173000 -0.204798640000 -0.139410320000 -0.074711735000
 -0.016305576000 -0.597206660000 -0.556566860000 -0.302636020000
 -0.000604972310 -0.343465100000 -0.351090660000 -0.223965160000
  0.000829133840 -0.035313408000  0.664163060000  0.608174490000
  0.005882396600  0.005592467100  0.652851310000  0.841123350000
 -0.001455280600 -0.001346781300  0.084683446000 -0.506686030000
 -0.001293853100 -0.000413719880 -0.002105121300 -0.890882850000
 -0.000360728690 -0.000284568690  0.000358315110 -0.143631670000
   12    3
  4.5474134000e2 95.536301000000 17.907634000000
       9882.00000000
       2403.00000000
        823.80000000
        333.70000000
        148.80000000
         70.43000000
         33.81000000
         17.00000000
          8.70100000
          4.31400000
          2.12700000
          0.95900000
  0.003683061200  0.001805054100  0.000846417250
  0.022686411000  0.011211363000  0.005178336500
  0.088814054000  0.045274980000  0.021319651000
  0.236150210000  0.126183800000  0.059384635000
  0.394734650000  0.226035540000  0.109563990000
  0.336213170000  0.152024880000  0.065256920000
  0.100311150000 -0.264806770000 -0.180903710000
  0.000258080770 -0.572017460000 -0.440708030000
  0.000269492650 -0.284275540000 -0.075339877000
  0.000052596208 -0.031279547000  0.592876290000
  0.001099552700 -0.000412780080  0.516439310000
  0.000078057957  0.000098293933  0.082292667000
   10    1
 43.270000000000
       1075.00000000
        338.60000000
        135.00000000
         60.23000000
         28.30000000
         13.79000000
          6.70400000
          3.22500000
          1.51300000
          0.63980000
  0.003287671600
  0.023985163000
  0.098683906000
  0.257714340000
  0.406973070000
  0.329741350000
  0.098895688000
  0.005542819800
  0.000253159270
 -0.000140104560
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PrQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Nd.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.24el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
NEODYMIUM (14s,10p,10d,8f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Kr], [6s5p6d4f1g] recommended
*
* NdQR5K NdQR5K-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: NdQR5K-[Kr]
* mv+dw from NdQR(5K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  NdQR5K NdQR5K-[Kr]      (14s10p10d8f)
*            0.75*Bk(3d) rather than so-correct the basis set
    24.0   4
********************************************************************************
* s-type functions
   14    2
    1295926.84000000
     107522.75000000
      15976.41080000
       3269.16252000
        823.69888500
         96.23478060
         55.25528050
         14.21114290
          2.89242473
          1.49915059
       5902.68125e-4
       2723.69207e-4
       6018.58931e-5
       2440.66263e-5
 -0.000080962142 -0.000022560340
 -0.000572583603 -0.000159550567
 -0.003105882720 -0.000865517790
 -0.013378711200 -0.003728384610
 -0.032869949400 -0.009167540440
  0.128854059000  0.036116610500
  0.078243555300  0.021909170700
 -0.557785870000 -0.159701326000
  0.943058697000  0.297034458000
  0.214037448000  0.069895524800
 -0.889738903000 -0.387876474000
 -0.485840437000 -0.369102736000
 -0.012583594500  0.688332603000
  0.003051468990  0.528588803000
* p-type functions
   10    1
       2300.38459000
        513.25113700
        156.05912800
         22.93077220
          9.73918132
          5.99649396
          2.85591068
       6778.66462e-4
       3127.70343e-4
       1292.44694e-4
 -0.003311232210
 -0.021703265400
 -0.058364148200
  0.186468697000
  0.135884253000
 -0.257994520000
 -0.395601206000
  0.556145330000
  0.506046047000
  0.097039952100
* d-type functions
   10    2
        616.55275800
        181.00092400
         67.13217050
         27.42227960
          5.58542515
          2.62262482
          1.21812284
       5154.18425e-4
       1991.67327e-4
       7064.41381e-5
 -0.005429792710  0.001409906470
 -0.039804479100  0.010014513000
 -0.140083470000  0.036779773700
 -0.225559063000  0.054678030800
  0.428595066000 -0.140616597000
  0.483487852000 -0.137802605000
  0.186580598000  0.053256625800
  0.017761868000  0.393135889000
 -0.000015083620  0.509527550000
  0.000070652899  0.259843494000
* f-type functions
    8    1
        104.00742300
         35.27970540
         14.18621780
          6.23497040
          2.79905866
          1.24892394
       5338.03568e-4
       2068.84938e-4
  0.007344185410
  0.046258041500
  0.150883583000
  0.293937574000
  0.368680746000
  0.316009751000
  0.181027105000
  0.052188801200
* g-type functions
    3    1
         12.92000000
          3.36000000
          0.87600000
  0.387891700000
  0.616395495000
  0.399479775000
********************************************************************************
* Core AIMP: NdQR5K NdQR5K-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.5693284000e5  1.1240958000e5  3.2668480000e4  1.0755084000e4  3.8808769000e3  1.4590185000e3  5.4444686000e2  2.4051181000e2 94.258955000000 40.281177000000 24.073501000000
  6.506588200000  3.418858700000
  0.017583500417  0.016849714583  0.028293632917  0.045809025000  0.065851187500  0.078969312500  0.129826950000  0.201404241667  0.099813362500  0.402442225000  0.119037925000
  0.239312512500  0.054806412500
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.2260736000e3  5.3061973000e2  1.1904296000e2 25.632714000000
     889800.00000000
     109910.00000000
      24090.00000000
       7028.00000000
       2445.00000000
        960.20000000
        408.70000000
        166.00000000
         81.60000000
         40.83000000
         19.26000000
         10.04000000
          4.74600000
          2.44500000
          1.14600000
  0.003078823000  0.001119213500  0.000512273700  0.000244653640
  0.012791041000  0.004758428100  0.002203691200  0.001042410500
  0.043467667000  0.016416378000  0.007550956800  0.003614923000
  0.122515090000  0.048615594000  0.022752211000  0.010781416000
  0.269223760000  0.116448520000  0.054716288000  0.026347044000
  0.392279050000  0.210305600000  0.103742760000  0.049607953000
  0.284340170000  0.182725620000  0.092450553000  0.046000591000
  0.051580982000 -0.230963700000 -0.160079460000 -0.086246767000
 -0.016401193000 -0.599667060000 -0.569425620000 -0.313361000000
 -0.000591492250 -0.320939270000 -0.321292940000 -0.208960170000
  0.001224365700 -0.029912860000  0.684605420000  0.639266840000
  0.005916611200  0.004433717500  0.636458330000  0.829176980000
 -0.001511860800 -0.000920149550  0.081411513000 -0.528403360000
 -0.001379055800 -0.000652548340 -0.001642069100 -0.884868100000
 -0.000361217840 -0.000248776260  0.000228599350 -0.139316200000
   12    3
  4.7454943000e2  1.0089027000e2 19.454707000000
       9977.00000000
       2411.00000000
        822.30000000
        332.60000000
        148.60000000
         70.67000000
         34.13000000
         17.31000000
          8.91400000
          4.46800000
          2.23000000
          1.02300000
  0.003898075000  0.001920434700  0.000905934790
  0.024151667000  0.011990838000  0.005591424000
  0.094263845000  0.048363732000  0.022940099000
  0.246422200000  0.132605020000  0.063021955000
  0.398749920000  0.229907830000  0.112302350000
  0.324201120000  0.138347380000  0.058171895000
  0.091590487000 -0.285871530000 -0.197659570000
 -0.000484179930 -0.566909760000 -0.442889890000
  0.000181140010 -0.269595940000 -0.051507861000
  0.000175327910 -0.028691955000  0.599549880000
  0.001097777200 -0.000467192310  0.503304350000
  0.000088398678  0.000144112270  0.080062726000
   10    1
 56.580000000000
       1067.00000000
        333.20000000
        133.60000000
         60.08000000
         28.54000000
         14.09000000
          6.95500000
          3.40000000
          1.62400000
          0.70650000
  0.003702622600
  0.026637923000
  0.106211010000
  0.267006710000
  0.405333720000
  0.316146790000
  0.093375648000
  0.005521495600
  0.000179283180
 -0.000130554130
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NdQR(5K)-[Kr,4d]
End of Spectral Representation Operator

/Pm.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.25el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
PROMETHIUM (14s,10p,10d,8f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Kr], [6s5p6d4f1g] recommended
*
* PmQR6L PmQR6L-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: PmQR6L-[Kr]
* mv+dw from PmQR(6L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  PmQR6L PmQR6L-[Kr]      (14s10p10d8f)
*            0.73*Bk(3d) rather than so-correct the basis set
********************************************************************************
    25.0   4
* s-type functions
   14    2
    1384018.65000000
     114067.84100000
      16855.66890000
       3412.50985000
        855.79051300
        101.23328300
         58.90139180
         14.87346440
          3.05801019
          1.62072811
       6142.90632e-4
       2824.68382e-4
       6150.45832e-5
       2486.18103e-5
 -0.000082405673 -0.000022698733
 -0.000577836995 -0.000159164193
 -0.003115269930 -0.000858156919
 -0.013580314600 -0.003740989310
 -0.032731812500 -0.009023861560
  0.124432299000  0.034446040000
  0.082663302500  0.022930635100
 -0.557526826000 -0.157753679000
  0.921790539000  0.285893462000
  0.226345237000  0.073610716500
 -0.882560103000 -0.378932111000
 -0.486312976000 -0.365461231000
 -0.012557375000  0.685250064000
  0.003088120320  0.527785712000
* p-type functions
   10    1
       2402.06705000
        535.03622600
        162.54365500
         23.88646090
         10.07394340
          6.27618734
          2.99052314
       7068.41614e-4
       3244.79706e-4
       1336.91631e-4
 -0.003309057800
 -0.021694556800
 -0.058479495100
  0.187634208000
  0.136231274000
 -0.261213216000
 -0.390363583000
  0.553400442000
  0.507160188000
  0.098061248300
* d-type functions
   10    2
        646.69574900
        189.75950100
         70.40534190
         28.79845130
          5.85960627
          2.73711946
          1.26121426
       5286.11984e-4
       2034.78013e-4
        720.98294e-4
 -0.005397504470  0.001398030940
 -0.039716221200  0.009958624480
 -0.140441646000  0.036786335700
 -0.227237287000  0.054893713700
  0.433232597000 -0.142019450000
  0.484641413000 -0.137365040000
  0.182103225000  0.061541944400
  0.016361584100  0.399693457000
  0.000057291580  0.504892172000
  0.000052133840  0.254080404000
* f-type functions
    8    1
        113.83727000
         38.82271850
         15.74700290
          6.97849993
          3.14962098
          1.40660815
          0.60114712
       2326.90952e-4
  0.006825298150
  0.043607041000
  0.143536209000
  0.285990048000
  0.367535956000
  0.322049072000
  0.188198155000
  0.056862489300
* g-type functions
    3    1
         13.77000000
          3.59000000
          0.93800000
  0.391033302000
  0.616519831000
  0.395190911000
********************************************************************************
* Core AIMP: PmQR6L PmQR6L-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.7607184000e5  1.1614518000e5  3.3744080000e4  1.1104844000e4  4.0033868000e3  1.5015865000e3  5.5858586000e2  2.4640281000e2 93.304055000000 40.889977000000 23.569351000000
  6.787578200000  3.560773700000
  0.016954940000  0.016262731200  0.027297082000  0.044190180000  0.063470412000  0.076287924000  0.126896004000  0.193829836000  0.100224540000  0.403807320000  0.089405628000
  0.230252904000  0.051120488000
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.3459162000e3  5.5296180000e2  1.2454774000e2 26.761012000000
     891600.00000000
     110040.00000000
      24070.00000000
       7015.00000000
       2443.00000000
        961.10000000
        410.60000000
        166.70000000
         81.54000000
         40.76000000
         19.74000000
         10.28000000
          4.85800000
          2.50100000
          1.16900000
  0.003279626100  0.001197407400  0.000550294750  0.000263701040
  0.013516443000  0.005055373700  0.002346109200  0.001112704300
  0.045712222000  0.017359643000  0.008020580700  0.003853549300
  0.127649410000  0.051038055000  0.023944397000  0.011375806000
  0.276609370000  0.120743760000  0.057037001000  0.027575836000
  0.393245700000  0.213835450000  0.105871060000  0.050750600000
  0.273646070000  0.173185910000  0.088041611000  0.044118779000
  0.045936699000 -0.260474360000 -0.184180240000 -0.099791469000
 -0.016467698000 -0.603859010000 -0.584999050000 -0.324344440000
 -0.000460249490 -0.293972830000 -0.282997130000 -0.188930610000
  0.001700741700 -0.023267478000  0.713089660000  0.681175990000
  0.005857671000  0.003138603600  0.614562790000  0.799308220000
 -0.001627632600 -0.000525640770  0.073760525000 -0.578173560000
 -0.001423435300 -0.000869059100 -0.001422430100 -0.856997800000
 -0.000339224210 -0.000199087340  0.000154442580 -0.125694930000
   12    3
  4.9408693000e2  1.0557589000e2 20.304282000000
       9992.00000000
       2413.00000000
        822.50000000
        332.40000000
        148.70000000
         70.92000000
         34.35000000
         17.49000000
          9.01900000
          4.56000000
          2.28400000
          1.04800000
  0.004166039200  0.002062161800  0.000973912680
  0.025641301000  0.012792707000  0.005998790600
  0.099434604000  0.051326072000  0.024409901000
  0.256129250000  0.138798560000  0.066352726000
  0.402409530000  0.233384800000  0.114286660000
  0.313068680000  0.124423140000  0.050675951000
  0.083117745000 -0.310548940000 -0.216909080000
 -0.001271525000 -0.563588230000 -0.443133280000
  0.000137160870 -0.250206600000 -0.016836838000
  0.000318203010 -0.024532132000  0.610094330000
  0.001077087400 -0.000597365990  0.483999860000
  0.000090864971  0.000177180930  0.073821481000
   10    1
 57.870000000000
       1061.00000000
        332.40000000
        133.70000000
         60.41000000
         28.86000000
         14.33000000
          7.10600000
          3.48800000
          1.67100000
          0.72730000
  0.004067083300
  0.028797547000
  0.112552600000
  0.275443040000
  0.406125620000
  0.304924600000
  0.086420261000
  0.004845891300
  0.000188737120
 -0.000112039900
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PmQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Sm.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.26el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
SAMARIUM (14s,10p,10d,8f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Kr], [6s5p6d4f1g] recommended
*
* SmQR7K SmQR7K-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: SmQR7K-[Kr]
* mv+dw from SmQR(7K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  SmQR7K SmQR7K-[Kr]      (14s10p10d8f)
*            1.00*Bk(3d) rather than so-correct the basis set
********************************************************************************
    26.0   4
* s-type functions
   14    2
    1599142.18000000
     129271.56800000
      18668.69740000
       3636.31740000
        895.29340300
        104.37134100
         59.57355670
         15.55391640
          3.25677180
          1.92750915
       6223.10187e-4
       2869.28163e-4
       6317.96803e-5
       2539.29358e-5
  0.000078401729 -0.000021372241
  0.000548562968 -0.000149529033
  0.002991938740 -0.000815704621
  0.013752745300 -0.003748487630
  0.032218879800 -0.008792475020
 -0.129200816000  0.035438204600
 -0.078445551900  0.021448684900
  0.557907863000 -0.156099537000
 -0.859635955000  0.263079222000
 -0.260787984000  0.082799607200
  0.883066497000 -0.378084936000
  0.461314147000 -0.350420259000
  0.011541762100  0.681187189000
 -0.002777945610  0.530571180000
* p-type functions
   10    1
       2506.60479000
        557.34265300
        169.17130300
         24.86066200
         10.07045830
          6.83503524
          3.15910931
       7310.47034e-4
       3329.85955e-4
       1364.96722e-4
 -0.003307657230
 -0.021689725900
 -0.058586527000
  0.189035199000
  0.164534643000
 -0.283331943000
 -0.393237020000
  0.557000241000
  0.503999697000
  0.095743703800
* d-type functions
   10    2
        679.85490900
        199.05042500
         73.73091750
         30.15909520
          6.18318623
          2.90765267
          1.34398504
       5477.50038e-4
       2078.51924e-4
       7315.19683e-5
 -0.005327712620  0.001362412600
 -0.039511743600  0.009775774460
 -0.140885909000  0.036435827700
 -0.228334832000  0.054413318100
  0.429236561000 -0.139158588000
  0.482650721000 -0.136928702000
  0.188009481000  0.060440559100
  0.017223853800  0.405095932000
 -0.000175775396  0.505252114000
  0.000149587908  0.251857141000
* f-type functions
    8    1
        125.38089500
         42.55411260
         17.16012220
          7.55941222
          3.40130324
          1.51973496
       6510.08226e-4
       2523.23495e-4
  0.006249988240
  0.041636497000
  0.141342180000
  0.286675563000
  0.368343289000
  0.321963982000
  0.189250596000
  0.058302789800
* g-type functions
    3    1
         14.77000000
          3.86000000
          1.00700000
  0.389980786000
  0.616798462000
  0.395646197000
********************************************************************************
* Core AIMP: SmQR7K SmQR7K-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.0275984000e5  1.0371628000e5  3.0989380000e4  1.0416864000e4  3.8084968000e3  1.4342415000e3  5.4267886000e2  2.4451981000e2 88.016655000000 40.973477000000 21.917141000000
  7.061928200000  3.701430700000
  0.017788705385  0.016516658846  0.027465157692  0.043960807692  0.062074450000  0.074342923077  0.127484692308  0.181641234615  0.104841426923  0.400678192308  0.058857242308
  0.221379330769  0.047584576923
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.4683422000e3  5.7585746000e2  1.3018083000e2 27.907835000000
     891200.00000000
     110050.00000000
      23960.00000000
       6965.00000000
       2424.00000000
        954.90000000
        409.50000000
        166.40000000
         80.82000000
         40.09000000
         20.03000000
         10.46000000
          4.99600000
          2.56800000
          1.19800000
  0.003491865100  0.001280289000  0.000590503150  0.000283613980
  0.014309798000  0.005382006100  0.002503547400  0.001191333700
  0.048271622000  0.018432400000  0.008550198600  0.004117262700
  0.133772710000  0.053920236000  0.025365948000  0.012092569000
  0.285614170000  0.125927970000  0.059784010000  0.028978801000
  0.394118570000  0.217891450000  0.108353440000  0.052136908000
  0.260678080000  0.160895700000  0.081991108000  0.041246725000
  0.039334197000 -0.295348280000 -0.213022140000 -0.115666320000
 -0.016196652000 -0.607934160000 -0.603094640000 -0.338059700000
 -0.000373492630 -0.262771390000 -0.230929500000 -0.158226490000
  0.002345098100 -0.014572280000  0.746520270000  0.730061320000
  0.005674103400  0.001404998700  0.581266190000  0.757250480000
 -0.001720001600  0.000028128583  0.066430337000 -0.620054920000
 -0.001484407500 -0.001147087100 -0.000967081770 -0.833276450000
 -0.000320323800 -0.000140493400  0.000073385994 -0.115874550000
   12    3
  5.1403827000e2  1.1035462000e2 21.162955000000
       9965.00000000
       2404.00000000
        820.20000000
        331.90000000
        148.70000000
         71.03000000
         34.39000000
         17.57000000
          9.06600000
          4.63100000
          2.33400000
          1.07500000
  0.004477788300  0.002227975300  0.001053224100
  0.027377173000  0.013719008000  0.006466478100
  0.104925480000  0.054508887000  0.025985928000
  0.265667600000  0.144905650000  0.069654376000
  0.405778540000  0.236731090000  0.116141210000
  0.301920210000  0.108578980000  0.041955534000
  0.074568187000 -0.338589310000 -0.239241360000
 -0.002182601500 -0.557630340000 -0.440076490000
  0.000202213590 -0.228568100000  0.023614120000
  0.000422020210 -0.020199887000  0.617735930000
  0.001065643000 -0.000740058220  0.462059470000
  0.000089891633  0.000211262610  0.068397024000
   10    1
 83.173637000000
       1074.00000000
        334.70000000
        134.30000000
         60.71000000
         29.13000000
         14.54000000
          7.23900000
          3.56600000
          1.71200000
          0.74490000
  0.004336376300
  0.030728060000
  0.119156550000
  0.284740340000
  0.406582360000
  0.293239300000
  0.079502008000
  0.004198699200
  0.000193554490
 -0.000094795009
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SmQR(7K)-[Kr,4d]
End of Spectral Representation Operator

/Eu.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.27el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
EUROPIUM (14s,10p,10d,8f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Kr], [6s5p6d4f1g] recommended
*
* EuQR10D EuQR10D-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: EuQR10D-[Kr]
* mv+dw from EuQR(10D)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  EuQR10D EuQR10D-[Kr]      (14s10p10d8f)
*            1.00*Bk(3d) rather than so-correct the basis set
********************************************************************************
    27.0   4
* s-type functions
   14    2
    1770245.74000000
     141778.92600000
      20230.04710000
       3785.47362000
        920.64043000
        110.17208000
         63.02156910
         16.27498390
          3.34546864
          1.76522438
       6321.59842e-4
       2764.82986e-4
       5169.51162e-5
       2201.11326e-5
 -0.000073830877 -0.000019415310
 -0.000511933100 -0.000134614937
 -0.002801661360 -0.000736839296
 -0.013764491900 -0.003618914660
 -0.029927062200 -0.007877101750
  0.118821559000  0.031363617400
  0.081062099300  0.021503530100
 -0.533496709000 -0.143978053000
  0.861973671000  0.255684197000
  0.219781042000  0.058247271900
 -0.850292514000 -0.326792818000
 -0.485404743000 -0.338395447000
 -0.016392982500  0.701313211000
  0.000768445230  0.477154378000
* p-type functions
   10    1
       2614.86708000
        580.35346500
        175.96854200
         25.89625800
         10.99717910
          6.69695224
          3.21423128
       7445.46257e-4
       3333.09575e-4
       1375.17625e-4
 -0.003153475330
 -0.020683555700
 -0.055989982600
  0.179851334000
  0.119099349000
 -0.247731074000
 -0.355799670000
  0.512982906000
  0.519330290000
  0.124022256000
* d-type functions
   10    2
        705.39682200
        206.94637600
         76.88279110
         31.55540880
          6.45138637
          2.98961936
          1.33880707
          0.47431864
       1508.26757e-4
       4531.10525e-5
 -0.005351068250  0.000947440793
 -0.039493216000  0.006761367880
 -0.140497822000  0.025149942100
 -0.227776085000  0.037601791800
  0.433398597000 -0.094424191800
  0.487226097000 -0.098529269100
  0.185686858000  0.054589191200
  0.014357332500  0.328797455000
 -0.000679027730  0.497591649000
  0.000233357492  0.409122341000
* f-type functions
    8    1
        133.92580100
         45.47987550
         18.37375210
          8.08455496
          3.60560423
          1.57317112
       6414.59525e-4
       2270.91571e-4
  0.005821836150
  0.039281285300
  0.134511880000
  0.276674023000
  0.362882223000
  0.331276071000
  0.211986919000
  0.081815667500
* g-type functions
    3    1
         14.21000000
          3.61000000
          0.88700000
  0.413926285000
  0.617057922000
  0.389928602000
********************************************************************************
* Core AIMP: EuQR10D EuQR10D-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.2294184000e5  1.0812298000e5  3.2349280000e4  1.0884544000e4  3.9827168000e3  1.4992345000e3  5.6422686000e2  2.5326881000e2 89.599355000000 42.118077000000 21.052301000000
  7.308978200000  3.800330700000
  0.017131642222  0.015876142963  0.026385228519  0.042191959259  0.059618129630  0.071748237037  0.123608911111  0.175421822222  0.104997266667  0.390805333333  0.048626103704
  0.212605303704  0.044317248148
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.5927212000e3  5.9860097000e2  1.3515586000e2 28.319995000000
     891000.00000000
     110090.00000000
      23940.00000000
       6941.00000000
       2411.00000000
        949.90000000
        408.70000000
        166.60000000
         80.32000000
         39.30000000
         20.23000000
         10.58000000
          5.09000000
          2.60200000
          1.20500000
  0.003719733800  0.001369911000  0.000634089760  0.000304476420
  0.015102260000  0.005711272200  0.002662565100  0.001267422800
  0.050689163000  0.019464787000  0.009064732800  0.004364198300
  0.139704900000  0.056751005000  0.026765463000  0.012765253000
  0.294435020000  0.131117380000  0.062560331000  0.030328151000
  0.394640550000  0.221622880000  0.110649130000  0.053277673000
  0.247862970000  0.147997860000  0.075524688000  0.038068761000
  0.033377714000 -0.327786170000 -0.241028100000 -0.130986450000
 -0.015810216000 -0.610169020000 -0.618151170000 -0.349132280000
 -0.000331258140 -0.234775210000 -0.176082170000 -0.123988430000
  0.003074461200 -0.005910727000  0.779247900000  0.780084060000
  0.005386972300 -0.000334540310  0.544085700000  0.700878860000
 -0.001821976700  0.000539310990  0.057692077000 -0.667634350000
 -0.001521883800 -0.001391680100 -0.000520231600 -0.799289270000
 -0.000295270790 -0.000081111458  0.000028350370 -0.104955010000
   12    3
  5.3369853000e2  1.1444226000e2 21.299476000000
      10023.00000000
       2416.00000000
        822.80000000
        332.10000000
        148.60000000
         71.04000000
         34.53000000
         17.67000000
          9.08800000
          4.62300000
          2.31100000
          1.04200000
  0.004742266500  0.002368951100  0.001118409200
  0.028851966000  0.014530204000  0.006853479400
  0.110141920000  0.057527936000  0.027411025000
  0.275778470000  0.151483210000  0.072905881000
  0.409521330000  0.239831040000  0.117530400000
  0.289713470000  0.091880728000  0.032286210000
  0.066224631000 -0.364555620000 -0.258957520000
 -0.002453969100 -0.551350250000 -0.434904850000
  0.000051846453 -0.208568790000  0.070293951000
  0.000668482110 -0.015919691000  0.633293180000
  0.000983834500 -0.000735031560  0.431216390000
  0.000085487918  0.000195635480  0.056757134000
   10    1
 86.374230000000
       1069.00000000
        333.60000000
        133.90000000
         60.48000000
         28.98000000
         14.43000000
          7.13600000
          3.49100000
          1.65800000
          0.70140000
  0.004745612500
  0.033231810000
  0.127163000000
  0.297767370000
  0.410799510000
  0.277559400000
  0.067801417000
  0.002850295800
  0.000242274230
 -0.000064004437
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
EuQR(10D)-[Kr,4d]
End of Spectral Representation Operator

/Gd.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.28el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
GADOLINIUM (14s,10p,10d,8f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Kr], [6s5p6d4f1g] recommended
*
* GdQR9D GdQR9D-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: GdQR9D-[Kr]
* mv+dw from GdQR(9D)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  GdQR9D GdQR9D-[Kr]      (14s10p10d8f)
*            3.00*Bk(3d) rather than so-correct the basis set
********************************************************************************
    28.0   4
* s-type functions
   14    2
    1901009.16000000
     150928.05900000
      21343.06110000
       3962.15119000
        959.68041200
        114.60144200
         65.88561370
         16.96953660
          3.55304073
          2.00235225
       6824.98106e-4
       3122.89913e-4
       6650.57307e-5
       2658.99132e-5
  0.000077420931 -0.000020838410
  0.000533726805 -0.000143642574
  0.002909535160 -0.000783264608
  0.014303608900 -0.003848622820
  0.030916616200 -0.008332127550
 -0.122591718000  0.033194792700
 -0.084000616800  0.022676944300
  0.553613883000 -0.152823490000
 -0.862906136000  0.259602491000
 -0.254225268000  0.080655935400
  0.864800791000 -0.359703126000
  0.482997219000 -0.357640401000
  0.012771532800  0.676571682000
 -0.003198299310  0.529974644000
* p-type functions
   10    1
       2728.36172000
        604.28187700
        182.99780400
         26.89614860
         10.60931600
          7.50296800
          3.42582921
       7984.66774e-4
       3650.56342e-4
          0.15021956
 -0.003295765080
 -0.021632263400
 -0.058712211700
  0.190523302000
  0.180354289000
 -0.304976849000
 -0.383759891000
  0.537384661000
  0.512420094000
  0.106906214000
* d-type functions
   10    2
        738.83312200
        216.59017600
         80.42697000
         33.01818380
          6.78119077
          3.17681225
          1.46277785
       5928.35084e-4
       2200.44398e-4
       7467.69583e-5
 -0.005324048580  0.001266279950
 -0.039453818600  0.009070296880
 -0.141294101000  0.033992706200
 -0.230011955000  0.050922671800
  0.433685173000 -0.130531303000
  0.481653311000 -0.125729662000
  0.185554875000  0.053963807500
  0.016762121700  0.378892736000
 -0.000112878015  0.510695924000
  0.000140239705  0.289174691000
* f-type functions
    8    1
        155.05704800
         52.85551790
         21.57476660
          9.61769912
          4.38336416
          1.97273608
       8433.10977e-4
          0.32213916
  0.004897283590
  0.034475106100
  0.121953054000
  0.263741554000
  0.360584270000
  0.338333869000
  0.213838767000
  0.072369648600
* g-type functions
    3    1
         16.74000000
          4.40000000
          1.15200000
  0.390243441000
  0.616542392000
  0.393723313000
********************************************************************************
* Core AIMP: GdQR9D GdQR9D-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.4163984000e5  1.1151198000e5  3.3244780000e4  1.1154804000e4  4.0714868000e3  1.5268695000e3  5.7458586000e2  2.5858581000e2 88.531555000000 42.820877000000 18.670651000000
  7.555358200000  3.951278700000
  0.016583096429  0.015429910357  0.025685301786  0.041063007143  0.057910185714  0.069812939286  0.121482864286  0.168041800000  0.109489164286  0.378695357143  0.037342885714
  0.204307200000  0.039870582143
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.7210609000e3  6.2333085000e2  1.4182383000e2 30.247953000000
     890299.98000000
     110156.66000000
      23906.41000000
       6913.03540000
       2397.24910000
        944.90895000
        407.78372000
        166.83462000
         79.98913300
         38.86782000
         20.21366400
         10.58465400
          5.10370180
          2.61342830
          1.20500000
  0.003958630200  0.001464468900  0.000679815200  0.000327920930
  0.015932597000  0.006057324300  0.002831333600  0.001354018500
  0.053230954000  0.020558700000  0.009604360100  0.004645533500
  0.145839830000  0.059697335000  0.028241118000  0.013532538000
  0.303106970000  0.136354680000  0.065326405000  0.031828933000
  0.394438210000  0.224873380000  0.112814260000  0.054581323000
  0.235122440000  0.134224160000  0.068174402000  0.034642551000
  0.027838709000 -0.359423250000 -0.268565820000 -0.146970460000
 -0.015371385000 -0.606302360000 -0.628333790000 -0.358952320000
 -0.000309317140 -0.209560810000 -0.112808620000 -0.082712091000
  0.003947715200 -0.001405612700  0.810457780000  0.841437470000
  0.004968699300 -0.000505594860  0.497474020000  0.627240510000
 -0.002005769600  0.000353965270  0.047394804000 -0.741704200000
 -0.001521381800 -0.001360200300 -0.000405552240 -0.748145280000
 -0.000247452960 -0.000065744157 -0.000057793915 -0.084001143000
   12    3
  5.5517597000e2  1.2017628000e2 22.897708000000
       9953.79030000
       2404.18260000
        819.89896000
        331.61232000
        148.67510000
         71.10496900
         34.41708300
         17.60604700
          9.01458660
          4.63878530
          2.34806120
          1.07760000
  0.005104906300  0.002563213600  0.001214264400
  0.030768075000  0.015556164000  0.007393884100
  0.116001090000  0.060971895000  0.029191883000
  0.284917510000  0.157422720000  0.076382697000
  0.411459590000  0.242095430000  0.119047100000
  0.278745540000  0.073572325000  0.022040580000
  0.058542231000 -0.395691290000 -0.286021290000
 -0.003213871700 -0.541341230000 -0.426163810000
  0.000212167280 -0.184742400000  0.122766670000
  0.000755127270 -0.011532018000  0.638414840000
  0.000961857800 -0.000884398080  0.399767370000
  0.000077283528  0.000254026300  0.050056032000
   10    1
  2.7350000000e2
       1080.35740000
        335.73365000
        134.51755000
         60.72932900
         29.14513700
         14.56861500
          7.28021070
          3.60128200
          1.73533000
          0.75407000
  0.005051513200
  0.035347694000
  0.134032220000
  0.307711640000
  0.411114330000
  0.263823450000
  0.061499114000
  0.002717858100
  0.000136448540
 -0.000050966711
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
GdQR(9D)-[Kr,4d]
End of Spectral Representation Operator

/Tb.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.29el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
TERBIUM (14s,10p,10d,8f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Kr], [6s5p6d4f1g] recommended
*
* TbQR8H TbQR8H-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: TbQR8H-[Kr]
* mv+dw from TbQR(8H)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  TbQR8H TbQR8H-[Kr]      (14s10p10d8f)
*            1.20*Bk(3d) rather than so-correct the basis set
********************************************************************************
    29.0   4
* s-type functions
   14    2
    2104999.52000000
     164479.40300000
      22840.03120000
       4174.38942000
       1003.82906000
        118.28563600
         67.42949160
         17.73624880
          3.68289362
          1.93179857
       7241.69569e-4
       3287.40688e-4
       6860.63973e-5
       2736.32823e-5
 -0.000076821620 -0.000020606318
 -0.000529373158 -0.000141983910
 -0.002898564680 -0.000777634849
 -0.014345782900 -0.003846798250
 -0.030940648600 -0.008309730160
  0.126011861000  0.034002867200
  0.081388066200  0.021887090800
 -0.553443400000 -0.152193567000
  0.889535497000  0.266427929000
  0.238782587000  0.076535646600
 -0.858568553000 -0.352006907000
 -0.501996579000 -0.365579819000
 -0.013709310200  0.675920353000
  0.003505660420  0.528425252000
* p-type functions
   10    1
       2845.16391000
        628.86833100
        190.20489500
         27.93396790
         10.59443090
          8.05799114
          3.58328876
          0.83129728
       3795.25143e-4
       1561.32624e-4
 -0.003295518820
 -0.021640251500
 -0.058884423100
  0.191946123000
  0.231009081000
 -0.355079690000
 -0.383354213000
  0.534224911000
  0.513223622000
  0.108804572000
* d-type functions
   10    2
        767.21865700
        224.99261700
         83.66843760
         34.44017980
          7.10374253
          3.32405225
          1.52121503
       5961.07412e-4
       2157.34507e-4
       7164.96739e-5
 -0.005363394530  0.001205339400
 -0.039712732200  0.008620379120
 -0.142042448000  0.032294768800
 -0.231077225000  0.048276024700
  0.433952683000 -0.122489982000
  0.482935534000 -0.119680152000
  0.185171681000  0.053844453600
  0.015873492800  0.373512079000
 -0.000369572328  0.511382242000
  0.000159607768  0.303132233000
* f-type functions
    8    1
        161.42845000
         55.10137030
         22.53290920
         10.04408000
          4.55917350
          2.03518443
       8606.23121e-4
       3256.77398e-4
  0.004977078350
  0.035015956900
  0.123761551000
  0.266677202000
  0.362418404000
  0.337655956000
  0.212123272000
  0.071804838300
* g-type functions
    3    1
         17.45000000
          4.57000000
          1.18600000
  0.395601406000
  0.616349388000
  0.391351163000
********************************************************************************
* Core AIMP: TbQR8H TbQR8H-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.6115384000e5  1.1493208000e5  3.4123280000e4  1.1410344000e4  4.1481668000e3  1.5474815000e3  5.8418386000e2  2.6440981000e2 88.887155000000 44.012177000000 17.568911000000
  7.812498200000  4.088326700000
  0.016067534138  0.015026315517  0.025051030345  0.040077620690  0.056460524138  0.068083962069  0.119088293103  0.160559958621  0.111045179310  0.363052034483  0.034296575862
  0.195715713793  0.036854562069
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.8514879000e3  6.4799991000e2  1.4791836000e2 31.504777000000
     891600.00000000
     110180.00000000
      24010.00000000
       6982.00000000
       2431.00000000
        959.00000000
        413.90000000
        169.80000000
         80.86000000
         38.41000000
         20.52000000
         10.76000000
          5.24000000
          2.68200000
          1.23400000
  0.004213525300  0.001566104600  0.000729479300  0.000352534400
  0.016774998000  0.006411154100  0.003002307200  0.001439910100
  0.055233729000  0.021454818000  0.010061169000  0.004875936200
  0.149149940000  0.061470350000  0.029140045000  0.014003486000
  0.306707930000  0.138970360000  0.066878266000  0.032652279000
  0.394189390000  0.226547100000  0.113885390000  0.055280535000
  0.228720360000  0.126210630000  0.064200183000  0.032660548000
  0.024778828000 -0.377438370000 -0.286290120000 -0.157049630000
 -0.015226310000 -0.608106900000 -0.635800370000 -0.366459790000
 -0.000284138020 -0.194358410000 -0.070289318000 -0.052513691000
  0.004563371900  0.006198714200  0.826561780000  0.875460100000
  0.004747980500 -0.002462915800  0.468558310000  0.580494770000
 -0.002108597100  0.001008275000  0.042129923000 -0.770906780000
 -0.001561407200 -0.001655880000 -0.000065435415 -0.724983660000
 -0.000233949540 -0.000004944772 -0.000115548390 -0.077660457000
   12    3
  5.7643795000e2  1.2529951000e2 23.832714000000
      10031.00000000
       2413.00000000
        821.60000000
        331.90000000
        148.70000000
         71.11000000
         34.45000000
         17.63000000
          8.98900000
          4.63500000
          2.35200000
          1.08000000
  0.005395656100  0.002720354500  0.001290321000
  0.032458711000  0.016483247000  0.007867146200
  0.121517710000  0.064218958000  0.030815487000
  0.294478950000  0.163731380000  0.079819708000
  0.413708050000  0.244046400000  0.120086420000
  0.266822610000  0.054551381000  0.011001827000
  0.051297003000 -0.422324540000 -0.309021130000
 -0.003405470200 -0.529479370000 -0.413713220000
  0.000188600090 -0.165239160000  0.172194070000
  0.000933325780 -0.008362895900  0.642917820000
  0.000894204090 -0.000903830480  0.368207200000
  0.000074140463  0.000259890990  0.042659146000
   10    1
  1.1442000000e2
       1080.00000000
        335.90000000
        134.50000000
         60.69000000
         29.14000000
         14.56000000
          7.27400000
          3.60100000
          1.73700000
          0.75500000
  0.005461326600
  0.037864000000
  0.141987930000
  0.318951520000
  0.411733010000
  0.249190160000
  0.053422051000
  0.002135958800
  0.000106789550
 -0.000030283175
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TbQR(8H)-[Kr,4d]
End of Spectral Representation Operator

/Dy.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.30el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
DYSPROSIUM (14s,10p,10d,8f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Kr], [6s5p6d4f1g] recommended
*
* DyQR7K DyQR7K-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: DyQR7K-[Kr]
* mv+dw from DyQR(7K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  DyQR7K DyQR7K-[Kr]      (14s10p10d8f)
*            1.30*Bk(3d) rather than so-correct the basis set
********************************************************************************
    30.0   4
* s-type functions
   14    2
    2281609.08000000
     176347.58600000
      24200.19370000
       4368.06295000
       1044.89499000
        122.93150300
         70.06305670
         18.50311890
          3.84684307
          1.99995930
       7541.86222e-4
       3410.72172e-4
       7048.17213e-5
       2800.72108e-5
 -0.000077309248 -0.000020606899
 -0.000530654357 -0.000141434428
 -0.002901746240 -0.000773595139
 -0.014455162100 -0.003851811490
 -0.030815449100 -0.008223870760
  0.126021045000  0.033790632500
  0.081526771900  0.021780499500
 -0.552731973000 -0.150992364000
  0.886432064000  0.263405518000
  0.238982640000  0.076327571000
 -0.854746307000 -0.346710459000
 -0.505125366000 -0.365069177000
 -0.013932768700  0.674184547000
  0.003592049920  0.528189597000
* p-type functions
   10    1
       2965.14925000
        654.09691100
        197.59973800
         28.99406490
         10.77795200
          8.43985253
          3.72319662
          0.86697772
       3951.30249e-4
       1620.74936e-4
 -0.003292901630
 -0.021626595100
 -0.058988847600
  0.193007844000
  0.258602624000
 -0.386415495000
 -0.378721239000
  0.527946163000
  0.516782487000
  0.111746789000
* d-type functions
   10    2
        802.68335700
        235.14557200
         87.38858390
         35.97623810
          7.42086101
          3.46811649
          1.58204307
       6104.56637e-4
       2181.00386e-4
       7147.53547e-5
 -0.005312304230  0.001156299130
 -0.039511454200  0.008301791200
 -0.142190152000  0.031310085700
 -0.232334765000  0.046988510800
  0.435555941000 -0.118775058000
  0.482832527000 -0.116077837000
  0.184271126000  0.053930242100
  0.015424887700  0.369141318000
 -0.000422815485  0.511392379000
  0.000169569293  0.312783661000
* f-type functions
    8    1
        171.19924300
         58.43012510
         23.91245710
         10.67139630
          4.84943298
          2.16159238
       9106.98135e-4
       3418.58477e-4
  0.004842798470
  0.034476199600
  0.122811005000
  0.265266830000
  0.361034097000
  0.338227979000
  0.215317958000
  0.075153854500
* g-type functions
    3    1
         18.35000000
          4.80000000
          1.23700000
  0.397116315000
  0.616157552000
  0.391880643000
********************************************************************************
* Core AIMP: DyQR7K DyQR7K-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.0407084000e5  1.0711408000e5  3.2636880000e4  1.1131194000e4  4.1033068000e3  1.5410325000e3  5.8852786000e2  2.6911481000e2 88.987655000000 45.176977000000 16.092741000000
  8.016848200000  4.205457700000
  0.016568845667  0.015005006667  0.024805271667  0.039267016667  0.054683480000  0.066141343333  0.117124880000  0.152440466667  0.113527353333  0.346550133333  0.034970276667
  0.185634463333  0.033281456667
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  3.9846209000e3  6.7324662000e2  1.5413639000e2 32.768412000000
     891600.00000000
     110250.00000000
      24130.00000000
       7034.00000000
       2449.00000000
        965.10000000
        416.50000000
        171.80000000
         81.38000000
         37.89000000
         20.57000000
         10.78000000
          5.34000000
          2.73100000
          1.25200000
  0.004484424100  0.001674702900  0.000782529110  0.000378732930
  0.017630028000  0.006773534800  0.003178136000  0.001528575300
  0.057298902000  0.022385895000  0.010535134000  0.005113021200
  0.153388630000  0.063655547000  0.030240235000  0.014575621000
  0.312489940000  0.142767420000  0.069008490000  0.033742207000
  0.394143100000  0.228825690000  0.115327490000  0.056184756000
  0.219622830000  0.115051600000  0.058350419000  0.029663276000
  0.020802114000 -0.399377560000 -0.307634520000 -0.169108030000
 -0.014822743000 -0.605155090000 -0.639978240000 -0.372538230000
 -0.000299647300 -0.177877100000 -0.012943027000 -0.008537775100
  0.005396751100  0.012186529000  0.843697870000  0.915715040000
  0.004304525900 -0.003879988300  0.427024890000  0.512248370000
 -0.002216551600  0.001426641300  0.034438548000 -0.808205960000
 -0.001590662600 -0.001839915100  0.000577392880 -0.693258400000
 -0.000211434310  0.000037931816 -0.000221355800 -0.069389589000
   12    3
  5.9810818000e2  1.3050348000e2 24.763300000000
      10125.00000000
       2429.00000000
        824.70000000
        332.50000000
        148.90000000
         71.25000000
         34.71000000
         17.83000000
          9.11100000
          4.71200000
          2.39800000
          1.10000000
  0.005674145700  0.002870495000  0.001363762400
  0.034076300000  0.017385704000  0.008325903400
  0.127062230000  0.067474367000  0.032453436000
  0.303769160000  0.170000700000  0.083208740000
  0.414963930000  0.244949010000  0.120601460000
  0.254951010000  0.036318185000  0.000162592480
  0.045063652000 -0.441486950000 -0.326237640000
 -0.003233546000 -0.516297440000 -0.400491500000
  0.000027588824 -0.152502380000  0.203721690000
  0.001135703700 -0.007043563200  0.641017230000
  0.000833021940 -0.000818771520  0.350974400000
  0.000083059503  0.000241994470  0.039134591000
   10    1
  1.2945000000e2
       1079.00000000
        336.10000000
        134.60000000
         60.69000000
         29.14000000
         14.55000000
          7.26700000
          3.60000000
          1.73800000
          0.75370000
  0.005902211500
  0.040447831000
  0.149922160000
  0.330018090000
  0.411380690000
  0.234611920000
  0.046251725000
  0.001699181600
  0.000079595109
 -0.000012847888
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
DyQR(7K)-[Kr,4d]
End of Spectral Representation Operator

/Ho.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.31el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
HOLMIUM (14s,10p,10d,8f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Kr], [6s5p6d4f1g] recommended
*
* HoQR6L HoQR6L-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: HoQR6L-[Kr]
* mv+dw from HoQR(6L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  HoQR6L HoQR6L-[Kr]      (14s10p10d8f)
*            3.00*Bk(3d) rather than so-correct the basis set
********************************************************************************
    31.0   4
* s-type functions
   14    2
    2474642.16000000
     189274.58000000
      25661.84010000
       4564.84343000
       1085.91006000
        127.97246300
         73.12411490
         19.27543260
          4.03413626
          2.16592405
       7763.32304e-4
       3509.36881e-4
       7225.60993e-5
       2860.87434e-5
 -0.000077551538 -0.000020514090
 -0.000530076441 -0.000140204412
 -0.002896244560 -0.000766253085
 -0.014581129100 -0.003855707280
 -0.030546449500 -0.008090273600
  0.124834977000  0.033218465000
  0.082369573200  0.021833545300
 -0.551561593000 -0.149479448000
  0.866658212000  0.255016860000
  0.246163449000  0.077698764800
 -0.850418704000 -0.342197363000
 -0.499581825000 -0.359988962000
 -0.013693754300  0.671030345000
  0.003523159540  0.529487866000
* p-type functions
   10    1
       3087.39989000
        679.71329100
        205.09412300
         30.11311790
         10.92890400
          8.98851238
          3.88900276
       8977.83931e-4
       4076.24001e-4
       1668.87424e-4
 -0.003291131120
 -0.021615247700
 -0.059062516900
  0.193321585000
  0.327638887000
 -0.453925375000
 -0.377484197000
  0.526728408000
  0.516524107000
  0.112438911000
* d-type functions
   10    2
        836.47741600
        245.03273800
         91.10422260
         37.54005570
          7.73869278
          3.61001240
          1.64378202
          0.63309403
       2247.18325e-4
       7288.68213e-5
 -0.005288178080  0.001129049810
 -0.039372712100  0.008110151730
 -0.142208169000  0.030717894700
 -0.233087243000  0.046217489000
  0.437988309000 -0.117274137000
  0.482215366000 -0.113445239000
  0.182861208000  0.053369490200
  0.015195627500  0.364083631000
 -0.000351232887  0.511897335000
  0.000165641754  0.320930728000
* f-type functions
    8    1
        179.05953200
         61.11407210
         25.01472270
         11.15417120
          5.06015824
          2.25277775
       9474.87732e-4
       3542.60717e-4
  0.004850598160
  0.034717680700
  0.124127505000
  0.267639299000
  0.361464011000
  0.336055161000
  0.214484229000
  0.075950536800
* g-type functions
    3    1
         19.25000000
          5.03000000
          1.28900000
  0.399019867000
  0.616103742000
  0.391477776000
********************************************************************************
* Core AIMP: HoQR6L HoQR6L-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.2286284000e5  1.1098398000e5  3.3773180000e4  1.1501704000e4  4.2341969000e3  1.5872905000e3  6.0609386000e2  2.7743581000e2 90.795855000000 46.635177000000 15.124751000000
  8.192218200000  4.312710700000
  0.016058626452  0.014557738710  0.024088414839  0.038125148387  0.053046303226  0.064289922581  0.114172474194  0.146925116129  0.113528787097  0.332888967742  0.039326058065
  0.174534170968  0.029748610645
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  4.1205061000e3  6.9909076000e2  1.6049005000e2 34.047426000000
     890900.00000000
     110700.00000000
      24320.00000000
       7104.00000000
       2478.00000000
        978.20000000
        423.40000000
        175.20000000
         82.90000000
         38.20000000
         20.96000000
         10.99000000
          5.53200000
          2.83100000
          1.29900000
  0.004762638800  0.001787065700  0.000837474620  0.000405856320
  0.018446973000  0.007124786700  0.003349592800  0.001615361600
  0.059305388000  0.023303040000  0.011002910000  0.005346583000
  0.157161810000  0.065665881000  0.031263247000  0.015111444000
  0.316472060000  0.145660990000  0.070687500000  0.034606433000
  0.392457890000  0.229657150000  0.116012550000  0.056712074000
  0.213117750000  0.106259670000  0.053647568000  0.027195857000
  0.018762919000 -0.412609060000 -0.321727830000 -0.177185180000
 -0.015040889000 -0.600898660000 -0.639523230000 -0.375127710000
 -0.000043639612 -0.168944790000  0.021806194000  0.020461774000
  0.005744114100  0.015407393000  0.848348930000  0.932969110000
  0.004240101200 -0.004694155400  0.405092940000  0.477052120000
 -0.002350289200  0.001700553800  0.030643314000 -0.818558620000
 -0.001628455200 -0.001976930600  0.001077634000 -0.683897610000
 -0.000215800800  0.000055150772 -0.000298866370 -0.068177110000
   12    3
  6.2019807000e2  1.3579814000e2 25.697197000000
      10211.00000000
       2453.00000000
        834.60000000
        337.50000000
        151.50000000
         72.59000000
         35.42000000
         18.20000000
          9.27100000
          4.79700000
          2.44300000
          1.11900000
  0.005956449900  0.003024352200  0.001439334000
  0.035447553000  0.018161484000  0.008723011100
  0.130614890000  0.069682616000  0.033588717000
  0.308005620000  0.173222780000  0.085068732000
  0.414405040000  0.244980800000  0.120716570000
  0.249077250000  0.026387621000 -0.005838666700
  0.042092649000 -0.453280090000 -0.337788410000
 -0.003308642500 -0.509567080000 -0.391988140000
  0.000029305268 -0.143898330000  0.229428830000
  0.001244092900 -0.005697638400  0.640287020000
  0.000810749480 -0.000842297510  0.334916750000
  0.000082754445  0.000247155590  0.035840082000
   10    1
  3.1120000000e2
       1080.00000000
        336.20000000
        134.60000000
         60.66000000
         29.13000000
         14.53000000
          7.28300000
          3.62100000
          1.75300000
          0.75900000
  0.006360234600
  0.043213489000
  0.158199140000
  0.340790810000
  0.409983280000
  0.219887000000
  0.039793131000
  0.001571878600
  0.000001946516
  0.000015124511
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
HoQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Er.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.32el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
ERBIUM (14s,10p,10d,8f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Kr], [6s5p6d4f1g] recommended
*
* ErQR5L ErQR5L-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: ErQR5L-[Kr]
* mv+dw from ErQR(5L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  ErQR5L ErQR5L-[Kr]      (14s10p10d8f)
*            3.00*Bk(3d) rather than so-correct the basis set
********************************************************************************
    32.0   4
* s-type functions
   14    2
    2639937.04000000
     200139.89900000
      26899.74500000
       4806.83520000
       1140.78922000
        131.43260400
         74.59741790
         20.10169820
          4.22721308
          2.32351238
       7987.02859e-4
       3604.59816e-4
        741.21657e-4
       2920.79285e-5
 -0.000079818375 -0.000020950442
 -0.000543271627 -0.000142587366
 -0.002949084100 -0.000774163291
 -0.014453421200 -0.003792861260
 -0.031187774000 -0.008194210570
  0.130001107000  0.034322446300
  0.078203653300  0.020555535300
 -0.552246860000 -0.148450640000
  0.851960768000  0.248260894000
  0.250735816000  0.078379335600
 -0.850429224000 -0.340142647000
 -0.491044535000 -0.353198588000
 -0.013323147500  0.668722521000
  0.003412566880  0.530135685000
* p-type functions
   10    1
       3212.11148000
        705.79964900
        212.72399400
         31.29590720
         11.99874810
          8.91130950
          4.03929272
       9277.66322e-4
       4185.72296e-4
       1705.80315e-4
 -0.003290549570
 -0.021605496200
 -0.059117521100
  0.192672360000
  0.201302704000
 -0.331032053000
 -0.370491881000
  0.527883500000
  0.515777893000
  0.111461018000
* d-type functions
   10    2
        869.30005600
        254.58225400
         94.69374200
         39.07398840
          8.08788326
          3.78046019
          1.72305018
       6599.88441e-4
       2325.44145e-4
       7478.70578e-5
 -0.005290697990  0.001113745950
 -0.039426865100  0.008007930720
 -0.142624958000  0.030376006700
 -0.233813998000  0.045726828900
  0.436635904000 -0.115264118000
  0.481530887000 -0.111816763000
  0.184810367000  0.051099672100
  0.015664088300  0.359838019000
 -0.000383242051  0.512683777000
  0.000197618912  0.328523530000
* f-type functions
    8    1
        187.58534500
         64.06248300
         26.27768420
         11.73489510
          5.32809252
          2.36686191
       9890.85244e-4
       3665.60341e-4
  0.004826553890
  0.034654300900
  0.124120652000
  0.267449397000
  0.360800677000
  0.336525635000
  0.215966068000
  0.077292266000
* g-type functions
    3    1
         20.12000000
          5.25000000
          1.33800000
  0.401619640000
  0.615998775000
  0.390462717000
********************************************************************************
* Core AIMP: ErQR5L ErQR5L-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.4219884000e5  1.1425878000e5  3.4717980000e4  1.1835794000e4  4.3557668000e3  1.6308145000e3  6.2345986000e2  2.8605681000e2 93.109755000000 48.237877000000 14.443591000000
  8.326118200000  4.405489700000
  0.015600399688  0.014233583125  0.023429455625  0.037062900000  0.051508853125  0.062539475000  0.111294400000  0.141538500000  0.112352159375  0.320712687500  0.046574221875
  0.161998675000  0.026154683125
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  4.2591962000e3  7.2555805000e2  1.6699765000e2 35.354991000000
     891400.00000000
     110870.00000000
      24410.00000000
       7104.00000000
       2465.00000000
        969.00000000
        417.50000000
        176.20000000
         83.25000000
         38.09000000
         20.86000000
         10.90000000
          5.56500000
          2.84500000
          1.29200000
  0.005060367100  0.001908646200  0.000896874490  0.000435170500
  0.019353167000  0.007510786100  0.003538337200  0.001710801600
  0.061735477000  0.024415912000  0.011563737000  0.005625138900
  0.163455240000  0.068750109000  0.032809165000  0.015904037000
  0.325703740000  0.151612910000  0.073886473000  0.036212703000
  0.393053920000  0.232687990000  0.117960620000  0.057883173000
  0.199025840000  0.089328158000  0.044199727000  0.022302496000
  0.012457704000 -0.437147550000 -0.345836730000 -0.190947940000
 -0.013467069000 -0.589795720000 -0.636311370000 -0.376977980000
 -0.000772935870 -0.152476440000  0.089504220000  0.076884389000
  0.007290041900  0.016565159000  0.856054740000  0.966661450000
  0.003210704300 -0.004683049200  0.359851820000  0.389574540000
 -0.002245471200  0.001521249000  0.022911840000 -0.859990380000
 -0.001710811300 -0.001920367000  0.001409569200 -0.639636480000
 -0.000163102740  0.000059996139 -0.000349416360 -0.056722544000
   12    3
  6.4272455000e2  1.4119950000e2 26.646423000000
      10280.00000000
       2460.00000000
        837.90000000
        339.00000000
        152.10000000
         72.81000000
         35.69000000
         18.36000000
          9.32200000
          4.82300000
          2.45400000
          1.11700000
  0.006298226500  0.003207740000  0.001528315000
  0.037271544000  0.019184617000  0.009243959700
  0.135772000000  0.072763003000  0.035137226000
  0.315967780000  0.178786580000  0.088134263000
  0.415144570000  0.245112810000  0.120691960000
  0.238365250000  0.008254983100 -0.016788937000
  0.036586429000 -0.471286740000 -0.354841000000
 -0.003054651500 -0.496555860000 -0.375580650000
 -0.000093461298 -0.131087690000  0.266704910000
  0.001447941700 -0.004098301100  0.638378520000
  0.000731509780 -0.000824232030  0.311324070000
  0.000085613718  0.000242046150  0.030639413000
   10    1
  3.2477000000e2
       1082.00000000
        336.40000000
        134.50000000
         60.58000000
         29.16000000
         14.58000000
          7.34700000
          3.66900000
          1.78000000
          0.76830000
  0.006833583700
  0.046118734000
  0.167010300000
  0.350987460000
  0.405781790000
  0.206138280000
  0.035025570000
  0.001464316700
 -0.000030841835
  0.000030028476
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ErQR(5L)-[Kr,4d]
End of Spectral Representation Operator

/Tm.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.33el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
THULIUM (14s,10p,10d,8f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Kr], [6s5p6d4f1g] recommended
*
* TmQR4K TmQR4K-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: TmQR4K-[Kr]
* mv+dw from TmQR(4K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  TmQR4K TmQR4K-[Kr]      (14s10p10d8f)
*            3.00*Bk(3d) rather than so-correct the basis set
********************************************************************************
    33.0   4
* s-type functions
   14    2
    2851698.90000000
     214137.20700000
      28462.30490000
       5023.54343000
       1186.14863000
        136.49652700
         77.44915680
         20.92882370
          4.39627950
          2.35755226
       8337.45517e-4
       3741.62576e-4
       7586.75126e-5
       2981.82995e-5
 -0.000080374849 -0.000020945334
 -0.000544609201 -0.000141914376
 -0.002950213400 -0.000768909027
 -0.014549359200 -0.003790663710
 -0.030989315000 -0.008083665460
  0.129597224000  0.033969514100
  0.078414074800  0.020458739900
 -0.550890275000 -0.146979529000
  0.855516008000  0.247244373000
  0.247516250000  0.077022260500
 -0.845987880000 -0.333604967000
 -0.498396383000 -0.354277366000
 -0.013608963500  0.665682554000
  0.003527255290  0.530684387000
* p-type functions
   10    1
       3344.23767000
        733.28467900
        220.66656400
         32.45748240
         12.92120560
          8.84469708
          4.15382397
       9700.34232e-4
       4386.77634e-4
       1792.89185e-4
 -0.003284950260
 -0.021575700100
 -0.059175383600
  0.192722336000
  0.150581629000
 -0.290148154000
 -0.359671603000
  0.516659959000
  0.520840418000
  0.118632448000
* d-type functions
   10    2
        904.39135500
        264.79890000
         98.53631590
         40.69964290
          8.41244989
          3.91632509
          1.77433372
       6709.49282e-4
       2344.32646e-4
       7471.31723e-5
 -0.005275230810  0.001089979020
 -0.039353667300  0.007841222820
 -0.142735560000  0.029838640600
 -0.234692975000  0.045035357500
  0.439772422000 -0.113695032000
  0.482256743000 -0.110109128000
  0.181900838000  0.054408774400
  0.014796596100  0.360831733000
 -0.000346719447  0.511907442000
  0.000193096054  0.329982952000
* f-type functions
    8    1
        211.28182900
         72.07710280
         29.63683440
         13.25387050
          6.03221042
          2.67848760
          1.11470781
       4075.24317e-4
  0.004058706860
  0.030301008900
  0.112448220000
  0.253585931000
  0.356375714000
  0.345337441000
  0.231707407000
  0.089244285000
* g-type functions
    3    1
         21.00000000
          5.47000000
          1.38600000
  0.404202534000
  0.616029807000
  0.389389139000
********************************************************************************
* Core AIMP: TmQR4K TmQR4K-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.6262784000e5  1.1827388000e5  3.5868880000e4  1.2210514000e4  4.4875269000e3  1.6768605000e3  6.4095386000e2  2.9444281000e2 94.983255000000 49.781877000000 13.710091000000
  8.354918200000  4.464686700000
  0.015145261818  0.013851714545  0.022809296364  0.036066130303  0.050072409091  0.060935427273  0.108780772727  0.136521145455  0.112420078788  0.307940666667  0.059119669697
  0.145179512121  0.022067014545
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  4.4007354000e3  7.5266372000e2  1.7366549000e2 36.694874000000
     895700.00000000
     111400.00000000
      24520.00000000
       7163.00000000
       2490.00000000
        978.50000000
        421.90000000
        179.10000000
         84.54000000
         38.02000000
         21.06000000
         11.02000000
          5.61400000
          2.86400000
          1.28200000
  0.005349112500  0.002027276000  0.000955344450  0.000464313200
  0.020299422000  0.007919141800  0.003736915100  0.001810104400
  0.064024674000  0.025473274000  0.012104986000  0.005898775000
  0.167290640000  0.070842468000  0.033868024000  0.016447698000
  0.330214970000  0.154914520000  0.075811372000  0.037228637000
  0.391709520000  0.233617350000  0.118611980000  0.058317858000
  0.191412480000  0.078248204000  0.038137241000  0.019234373000
  0.010056130000 -0.451189780000 -0.361946060000 -0.200620980000
 -0.013548455000 -0.583764270000 -0.631900930000 -0.376549310000
 -0.000415081690 -0.143373030000  0.138465960000  0.118931460000
  0.007705133100  0.020436140000  0.850745330000  0.981613520000
  0.002927421300 -0.005854465300  0.333247950000  0.323748150000
 -0.002409785900  0.001833725800  0.019237932000 -0.890057400000
 -0.001675218100 -0.002053982900  0.001243247300 -0.600147880000
 -0.000139406100  0.000100976930 -0.000326156050 -0.047029309000
   12    3
  6.6569372000e2  1.4671156000e2 27.614107000000
      10441.00000000
       2493.00000000
        847.50000000
        342.80000000
        153.90000000
         73.66000000
         36.13000000
         18.59000000
          9.43000000
          4.86900000
          2.47300000
          1.11800000
  0.006543749200  0.003344773500  0.001596515600
  0.038635665000  0.019963552000  0.009642485000
  0.140003900000  0.075368114000  0.036474226000
  0.321807810000  0.182978180000  0.090462873000
  0.414768890000  0.244843760000  0.120594290000
  0.230791420000 -0.006177357600 -0.025864681000
  0.032818959000 -0.486533230000 -0.369379310000
 -0.003030876500 -0.484465550000 -0.360496600000
 -0.000081562039 -0.120664800000  0.298179300000
  0.001571008000 -0.003232207000  0.635753170000
  0.000687271100 -0.000717427450  0.291251570000
  0.000083382608  0.000218880020  0.026545693000
   10    1
  3.3815000000e2
       1079.00000000
        335.40000000
        134.40000000
         60.70000000
         29.29000000
         14.64000000
          7.39000000
          3.70400000
          1.80300000
          0.77700000
  0.007400847400
  0.049344652000
  0.175163100000
  0.359082980000
  0.401850470000
  0.194167210000
  0.030565928000
  0.001377364300
 -0.000072083899
  0.000046321181
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TmQR(4K)-[Kr,4d]
End of Spectral Representation Operator

/Yb.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.34el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
YTTERBIUM (14s,10p,10d,8f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Kr], [6s5p6d4f1g] recommended
*
* YbQR3H YbQR3H-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: YbQR3H-[Kr]
* mv+dw from YbQR(3H)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  YbQR3H YbQR3H-[Kr]      (14s10p10d8f)
*            3.00*Bk(3d) rather than so-correct the basis set
********************************************************************************
    34.0   4
* s-type functions
   14    2
    3094284.12000000
     230102.56300000
      30211.51010000
       5228.09043000
       1227.28047000
        142.08490800
         80.58743630
         21.76471650
          4.55988237
          2.36051106
       8639.33698e-4
       3859.93674e-4
       7776.34241e-5
       3047.58264e-5
 -0.000080102030 -0.000020791881
 -0.000540407318 -0.000140263704
 -0.002926863730 -0.000759814776
 -0.014730110000 -0.003822539160
 -0.030348838800 -0.007885400350
  0.127706400000  0.033338715900
  0.079416847900  0.020639837200
 -0.548238605000 -0.145669422000
  0.861880684000  0.248018374000
  0.240431424000  0.074688082400
 -0.849013008000 -0.332507723000
 -0.498364221000 -0.352231600000
 -0.013551160400  0.665361651000
  0.003516381640  0.529553331000
* p-type functions
   10    1
       3478.21821000
        761.03390800
        228.73852800
         33.67980200
         14.19065910
          8.63806639
          4.25100038
          1.00695518
       4529.68302e-4
       1844.55925e-4
 -0.003283782260
 -0.021561907600
 -0.059234730900
  0.192174313000
  0.109094376000
 -0.263051636000
 -0.343456531000
  0.514084048000
  0.523321657000
  0.119419579000
* d-type functions
   10    2
        943.11638200
        275.80506200
        102.53624900
         42.34648210
          8.76948854
          4.08991551
          1.85446106
       6937.57774e-4
       2390.36763e-4
       7500.28942e-5
 -0.005230975480  0.001043058300
 -0.039185247400  0.007533329960
 -0.142904576000  0.028827323900
 -0.235685881000  0.043646772800
  0.438830256000 -0.109285330000
  0.481370296000 -0.106169583000
  0.183709105000  0.050672163100
  0.015125481700  0.351446504000
 -0.000448329042  0.512342772000
  0.000217489791  0.346715049000
* f-type functions
    8    1
        216.93554300
         74.05562530
         30.46866590
         13.63473620
          6.20378946
          2.75192771
          1.14321936
       4168.98991e-4
  0.004206335370
  0.031282769600
  0.115522382000
  0.257476056000
  0.357254038000
  0.342491349000
  0.228516027000
  0.088117180900
* g-type functions
    3    1
         22.00000000
          5.73000000
          1.44500000
  0.404728839000
  0.615938336000
  0.390012427000
********************************************************************************
* Core AIMP: YbQR3H YbQR3H-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.1575084000e5  1.1119598000e5  3.4324580000e4  1.1843414000e4  4.3998969000e3  1.6526955000e3  6.3973886000e2  2.9732381000e2 94.676155000000 50.980477000000 12.683441000000
  8.043038200000  4.403226700000
  0.015557397059  0.013910615294  0.022790780882  0.035666682353  0.048809791176  0.059746120588  0.108028805882  0.128821226471  0.116739411765  0.290747276471  0.086513041176
  0.115579976471  0.015912402647
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  4.5451610000e3  7.8041413000e2  1.8048980000e2 38.063100000000
     906400.00000000
     113140.00000000
      24920.00000000
       7249.00000000
       2515.00000000
        987.70000000
        425.40000000
        182.40000000
         86.19000000
         38.47000000
         21.27000000
         11.04000000
          5.72200000
          2.92400000
          1.30700000
  0.005620689300  0.002140756600  0.001011258000  0.000492036510
  0.021005080000  0.008234794600  0.003893666700  0.001890208600
  0.065927702000  0.026386671000  0.012573020000  0.006132870400
  0.171643880000  0.073140442000  0.035044640000  0.017060501000
  0.334938680000  0.158409240000  0.077787811000  0.038236490000
  0.390363670000  0.234249650000  0.119209060000  0.058794755000
  0.183927360000  0.067219264000  0.031745420000  0.015818284000
  0.007294571000 -0.462623410000 -0.375150540000 -0.208360410000
 -0.013272610000 -0.576470040000 -0.626854190000 -0.376146140000
 -0.000388569660 -0.136129430000  0.180353040000  0.158466250000
  0.008397768500  0.021889876000  0.851897280000  0.996467200000
  0.002477029600 -0.006479788300  0.305163670000  0.263861320000
 -0.002468800900  0.002090011000  0.013894684000 -0.905419970000
 -0.001700035300 -0.002165276800  0.001761201200 -0.574466170000
 -0.000125444500  0.000124789170 -0.000402550540 -0.043193191000
   12    3
  6.8910253000e2  1.5232814000e2 28.596108000000
      10457.00000000
       2491.00000000
        846.70000000
        342.20000000
        153.60000000
         73.50000000
         36.34000000
         18.77000000
          9.51100000
          4.90800000
          2.49100000
          1.12000000
  0.006951896000  0.003562914300  0.001703279400
  0.040780108000  0.021171755000  0.010250827000
  0.146452980000  0.079184646000  0.038399017000
  0.331320810000  0.189626060000  0.094045934000
  0.413941560000  0.243164130000  0.119583770000
  0.218161340000 -0.027909264000 -0.039466551000
  0.027455497000 -0.500745660000 -0.383660670000
 -0.002631987800 -0.468717710000 -0.340411170000
 -0.000212423620 -0.110554080000  0.329736860000
  0.001761567000 -0.002179672800  0.630136660000
  0.000612098060 -0.000717651980  0.271562570000
  0.000088410483  0.000218013120  0.023099771000
   10    1
  3.5175000000e2
       1079.00000000
        335.40000000
        134.40000000
         60.75000000
         29.40000000
         14.72000000
          7.44200000
          3.73400000
          1.81600000
          0.77750000
  0.007950611800
  0.052515028000
  0.183812160000
  0.367431700000
  0.396165260000
  0.182482170000
  0.026951141000
  0.001239159100
 -0.000078382927
  0.000052139818
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
YbQR(3H)-[Kr,4d]
End of Spectral Representation Operator

/Lu.CG-AIMP.Seijo.14s10p10d8f3g.2s1p2d1f1g.ECP.35el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
LUTETIUM (14s,10p,10d,8f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Kr], [6s5p6d4f1g] recommended
*
* LuQR2D LuQR2D-[Kr]BkSOC (14s10p10d8f)
*
* core-AIMP: LuQR2D-[Kr]
* mv+dw from LuQR(2D)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Kr,4d]
*            d exponents and all coeficients optimized in
*                  LuQR2D LuQR2D-[Kr]      (14s10p10d8f)
*            3.00*Bk(3d) rather than so-correct the basis set
********************************************************************************
    35.0   4
* s-type functions
   14    2
    3354445.51000000
     246653.38200000
      31974.99940000
       5529.10070000
       1291.88235000
        144.91515200
         80.54837370
         22.67860910
          4.76954934
          2.55330247
       8990.48259e-4
       4016.90938e-4
       8082.07981e-5
        315.84208e-4
 -0.000081482607 -0.000021149205
 -0.000548367918 -0.000142325342
 -0.002960833250 -0.000768573725
 -0.014589784700 -0.003786238510
 -0.030969052700 -0.008044790390
  0.135816980000  0.035456347900
  0.072784169000  0.018886244900
 -0.549401397000 -0.145890296000
  0.844513778000  0.242305581000
  0.250684179000  0.078155907700
 -0.834865127000 -0.325973932000
 -0.505987206000 -0.357225161000
 -0.014295623700  0.662923710000
  0.003731387650  0.532461512000
* p-type functions
   10    1
       3625.75742000
        791.48107300
        237.47115500
         34.76965740
         15.75068480
          7.90135902
          4.04306108
          1.12207481
       5150.51175e-4
          0.21093501
 -0.003269705240
 -0.021480070400
 -0.059273660800
  0.193496771000
  0.071628731800
 -0.286098528000
 -0.294468161000
  0.450314315000
  0.559214067000
  0.158709738000
* d-type functions
   10    2
        979.85277300
        286.43080300
        106.50681100
         44.02223520
          9.11560684
          4.23979635
          1.90976545
       6912.25209e-4
       2316.24303e-4
       7075.15833e-5
 -0.005216574420  0.000969250418
 -0.039123016200  0.007001598670
 -0.143033221000  0.026887978900
 -0.236398332000  0.040734468400
  0.440424061000 -0.101505108000
  0.482225408000 -0.099769601400
  0.182507759000  0.050186036000
  0.014177900200  0.342375753000
 -0.000604369497  0.511386703000
  0.000214496582  0.367658195000
* f-type functions
    8    1
        226.96369700
         77.48624590
         31.90399690
         14.28171460
          6.49645053
          2.87797100
          1.19299291
       4337.07639e-4
  0.004167651810
  0.031156521800
  0.115535821000
  0.257832519000
  0.357423851000
  0.342241236000
  0.228707410000
  0.088830927200
* g-type functions
    3    1
         22.87000000
          5.95000000
          1.49700000
  0.407947825000
  0.615755802000
  0.387663253000
********************************************************************************
* Core AIMP: LuQR2D LuQR2D-[Kr]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.3431284000e5  1.1465358000e5  3.5202080000e4  1.2066454000e4  4.4660468000e3  1.6741125000e3  6.4984086000e2  3.0367281000e2 96.094455000000 52.481577000000 12.365831000000
  7.671538200000  4.211631700000
  0.015144570857  0.013611913429  0.022393024857  0.035116111429  0.047685254286  0.058601737143  0.106437385714  0.123052400000  0.118024865714  0.277592020000  0.108503051429
  0.092656797143  0.009752293429
M2
  0
COREREP
 1.0
PROJOP
    2
   15    4
  4.6925203000e3  8.0882520000e2  1.8747653000e2 39.463790000000
     905800.00000000
     112930.00000000
      24850.00000000
       7227.00000000
       2507.00000000
        983.10000000
        421.10000000
        184.00000000
         87.06000000
         38.77000000
         21.31000000
         10.97000000
          5.75000000
          2.93700000
          1.29400000
  0.005968632300  0.002285638500  0.001082390800  0.000527174370
  0.022132528000  0.008717649700  0.004129381200  0.002008825200
  0.068923799000  0.027780260000  0.013275951000  0.006481447300
  0.177773220000  0.076256434000  0.036613448000  0.017865678000
  0.341972140000  0.163551850000  0.080641552000  0.039675947000
  0.388908510000  0.235042830000  0.119879880000  0.059315526000
  0.172269540000  0.050431535000  0.021925996000  0.010593230000
  0.002551667800 -0.480060950000 -0.394757280000 -0.219803630000
 -0.012263862000 -0.563785170000 -0.617296890000 -0.373510860000
 -0.000575959950 -0.124150500000  0.237626710000  0.212092740000
  0.009386547700  0.020968820000  0.846014160000  1.007597300000
  0.001684328100 -0.006010828900  0.272455240000  0.182008070000
 -0.002423337700  0.001751052400  0.008727171000 -0.925933130000
 -0.001721599200 -0.002038692300  0.002007246400 -0.533380500000
 -0.000090406728  0.000114019110 -0.000432704050 -0.035606811000
   12    3
  7.1295695000e2  1.5805266000e2 29.596045000000
      10544.00000000
       2506.00000000
        850.90000000
        344.40000000
        154.90000000
         74.16000000
         36.74000000
         18.98000000
          9.62000000
          4.96100000
          2.51600000
          1.12400000
  0.007292542500  0.003749211100  0.001795084900
  0.042657333000  0.022237124000  0.010789130000
  0.151766820000  0.082418828000  0.040043015000
  0.337448710000  0.194137560000  0.096540576000
  0.412063760000  0.241276990000  0.118520810000
  0.209754680000 -0.044238337000 -0.049949593000
  0.023982329000 -0.514010680000 -0.396918030000
 -0.002531370300 -0.455026940000 -0.321817480000
 -0.000185271670 -0.101160040000  0.357714190000
  0.001864463300 -0.001759627500  0.623190600000
  0.000573857690 -0.000578113880  0.254995320000
  0.000087368463  0.000186582650  0.020339956000
   10    1
  3.6559000000e2
       1080.00000000
        335.40000000
        134.50000000
         60.82000000
         29.45000000
         14.72000000
          7.43500000
          3.73900000
          1.83000000
          0.78860000
  0.008528807700
  0.055794033000
  0.192289000000
  0.376014200000
  0.391076910000
  0.170345400000
  0.023007279000
  0.001127887300
 -0.000101596250
  0.000061458290
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
LuQR(2D)-[Kr,4d]
End of Spectral Representation Operator

********************************************************************************
*         C.1.3.1.c. Lanthanide Elements (core [M])
********************************************************************************

/Ce.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.30el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
CERIUM (14s,10p,10d,8f,3g) -> [3s,2p,2d,1f,1g]
********************************************************************************
*relativistic core=[M], [7s6p6d4f1g] recommended
*
* CeQR5I CeQR5I-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: CeQR5I-[M]
* mv+dw from CeQR(5I)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in CeQR5I CeQR5I-[M]
*            0.7*Bk(3d) rather than so-correct the basis set
********************************************************************************
    30.0   4
* s-type functions
   14    3
     986392.66800000
      84898.94520000
      13122.80590000
       2810.64856000
        737.48548000
         91.73404120
         54.84819770
         12.71994530
          2.62204514
          1.19199092
       5559.64477e-4
       2468.53624e-4
       5288.66989e-5
       2241.74126e-5
  0.000200029092 -0.000086193547 -0.000023871677
  0.001423780850 -0.000613189719 -0.000169827295
  0.007627151360 -0.003282962730 -0.000909264079
  0.031341635600 -0.013424048500 -0.003718507950
  0.076150495700 -0.032084836700 -0.008892988230
 -0.264034019000  0.111850154000  0.031147639100
 -0.214918650000  0.088474944000  0.024649220000
  1.149807780000 -0.555008116000 -0.158177346000
 -1.102669450000  0.967164770000  0.304227105000
 -0.242219477000  0.242610494000  0.077455860600
  0.004214401470 -0.920545095000 -0.391127093000
 -0.002625170960 -0.505049143000 -0.375996221000
  0.000350388073 -0.012121882300  0.700204219000
 -0.000151489703  0.004751310780  0.510773517000
* p-type functions
   10    2
       2091.91850000
        468.59093500
        142.85211400
         20.69517310
          8.18273678
          5.15459039
          2.26075879
       9370.10142e-4
       4161.48542e-4
       1659.19126e-4
  0.008881506610 -0.003303374750
  0.057856531700 -0.021657506300
  0.153750721000 -0.057196626100
 -0.473109953000  0.191128529000
 -0.377933418000  0.146484866000
  0.643485607000 -0.325062311000
  0.641376595000 -0.407871019000
  0.105369951000  0.271730361000
 -0.006040760030  0.690815515000
  0.001806554490  0.257678763000
* d-type functions
   10    2
        567.37734300
        166.27670700
         61.47660960
         24.93685770
          4.98851255
          2.31789126
          1.05908978
       4335.17346e-4
       1603.85815e-4
       5550.32129e-5
 -0.005338889520  0.001268684950
 -0.039178773700  0.009029645570
 -0.138040033000  0.033144102700
 -0.223277193000  0.049665333100
  0.432828054000 -0.127838357000
  0.489191034000 -0.129204045000
  0.179471703000  0.059972764700
  0.014263532800  0.380359225000
 -0.000032841876  0.503926349000
 -0.000036269426  0.291596628000
* f-type functions
    8    1
        105.83626300
         35.43349610
         13.75515140
          5.77245020
          2.45565555
          1.03278327
       4124.11499e-4
       1462.68879e-4
  0.005225315050
  0.036129734100
  0.131603311000
  0.284740656000
  0.379701595000
  0.335739376000
  0.204423562000
  0.074953147100
* g-type functions
    3    1
         10.08000000
          2.53000000
          0.61700000
  0.410088012000
  0.617701017000
  0.397316307000
********************************************************************************
* Core AIMP: CeQR5I CeQR5I-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.4938084000e5  1.1702118000e5  3.5394680000e4  1.1982094000e4  4.4311768000e3  1.7264555000e3  6.5800086000e2  2.8374581000e2  1.3658725000e2 45.567377000000 24.874901000000
 13.301848000000  2.931084700000
  0.012753930333  0.011589444333  0.019242499000  0.031002139333  0.045365456667  0.054944986667  0.075849260000  0.138554786667  0.095851530000  0.189623313333  0.221716410000
  0.036795996667  0.000043579197
M2
  0
COREREP
 1.0
PROJOP
    2
   15    3
  2.9938427000e3  4.8738373000e2  1.0823217000e2
     890439.98000000
     109876.66000000
      23933.41000000
       6976.03540000
       2427.04910000
        950.40895000
        401.88372000
        165.39461000
         81.05913300
         40.22782000
         18.02666400
          9.36565400
          4.32970180
          2.24152830
          1.05040000
  0.002693328500  0.000971664670  0.000440954520
  0.011473578000  0.004217595900  0.001943971100
  0.039758536000  0.014874456000  0.006779744600
  0.113673810000  0.044400370000  0.020667440000
  0.255516930000  0.108815210000  0.050593398000
  0.389703210000  0.203039390000  0.099377185000
  0.302518290000  0.199078120000  0.099718060000
  0.062126380000 -0.175407760000 -0.116366160000
 -0.014727254000 -0.593439040000 -0.541947260000
 -0.001426918200 -0.370002080000 -0.382149990000
  0.000932640370 -0.041669392000  0.643843880000
  0.005564311700  0.007313055300  0.666751750000
 -0.001279627600 -0.002023040600  0.088001765000
 -0.001283272100 -0.000055172390 -0.002893327600
 -0.000343519070 -0.000350570910  0.000425509850
   12    2
  4.3653059000e2 91.619800000000
      10143.79000000
       2441.18260000
        834.09896000
        336.91232000
        149.47510000
         70.28496900
         33.51708300
         16.76604700
          8.55958660
          4.20978530
          2.08206120
          0.94810000
  0.003325914800  0.001622080100
  0.020882892000  0.010260917000
  0.082807274000  0.041929074000
  0.225358290000  0.119424140000
  0.390620180000  0.222047550000
  0.348799420000  0.165146590000
  0.110014020000 -0.240799410000
  0.001115674300 -0.572376150000
  0.000408999780 -0.303444240000
 -0.000124737430 -0.035732657000
  0.001136478500 -0.000204965340
  0.000067991170  0.000086170296
   10    1
 47.474800000000
       1050.35740000
        326.73365000
        132.11755000
         60.42932900
         29.24513700
         14.57861500
          7.27021070
          3.51128200
          1.64933000
          0.70407000
  0.003240571500
  0.023497608000
  0.093127076000
  0.235374050000
  0.380617470000
  0.346953800000
  0.130688670000
  0.012372521000
 -0.000126033580
 -0.000112220020
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CeQR(5I)-[Kr,4d]
End of Spectral Representation Operator

/Pr.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.31el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
PRASEODYMIUM (14s,10p,10d,8f,3g) -> [3s,2p,2d,1f,1g]
********************************************************************************
*relativistic core=[M], [7s6p6d4f1g] recommended
*
* PrQR6L PrQR6L-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: PrQR6L-[M]
* mv+dw from PrQR(6L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in PrQR6L PrQR6L-[M]
*            0.61*Bk(3d) rather than so-correct the basis set
********************************************************************************
    31.0   4
* s-type functions
   14    3
    1114650.86000000
      94318.00570000
      14312.44280000
       3007.62063000
        776.80267100
         94.71179910
         56.07315760
         13.39142220
          2.72935922
          1.19011344
          0.54984463
       2384.53472e-4
       4512.10894e-5
       1952.41795e-5
  0.000195010816 -0.000081739594 -0.000021135765
  0.001384043470 -0.000579957431 -0.000149964327
  0.007463373800 -0.003123951970 -0.000807790317
  0.031211681900 -0.013016317700 -0.003366241820
  0.076788009600 -0.031417425400 -0.008128836610
 -0.275820366000  0.113408655000  0.029448717900
 -0.207040115000  0.082448575700  0.021475923100
  1.149650190000 -0.536299140000 -0.142388045000
 -1.111869260000  0.935789379000  0.272610422000
 -0.234604065000  0.216775010000  0.058646390400
  0.009802199440 -0.900187274000 -0.335318792000
 -0.003663717480 -0.494162966000 -0.353071053000
  0.000524712667 -0.012931503700  0.706164524000
 -0.000329927773  0.002710776460  0.477543571000
* p-type functions
   10    2
       2195.92758000
        490.69436100
        149.20924100
         21.58604770
          8.54897716
          5.34607621
          2.34706563
       9753.36031e-4
       4227.42955e-4
       1661.42599e-4
  0.008842902820 -0.003155705290
  0.057811856400 -0.020758577000
  0.154638098000 -0.055192531300
 -0.477120062000  0.184594184000
 -0.364410831000  0.133587067000
  0.642692598000 -0.308765174000
  0.632810440000 -0.381646600000
  0.105587432000  0.241295994000
 -0.004992008430  0.681709440000
  0.001672486550  0.287675505000
* d-type functions
   10    2
        590.17053700
        173.22040000
         64.17025630
         26.14447460
          5.27286946
          2.44736600
          1.10973125
       4227.50427e-4
       1451.19841e-4
       4683.07385e-5
 -0.005378231730  0.001121703360
 -0.039405038300  0.007978127420
 -0.138427377000  0.029158452300
 -0.223059167000  0.043659465100
  0.427945849000 -0.109040266000
  0.487851717000 -0.114178988000
  0.187913662000  0.054004430900
  0.016127852400  0.351390337000
 -0.000661860529  0.503705939000
  0.000097549286  0.352669506000
* f-type functions
    8    1
        103.26038900
         34.47112460
         13.55910450
          5.79549941
          2.50411307
          1.05782110
       4166.22018e-4
       1422.46714e-4
  0.006132926090
  0.040609118400
  0.138836928000
  0.281897078000
  0.366831610000
  0.332326962000
  0.215519662000
  0.089302910400
* g-type functions
    3    1
         10.02000000
          2.46000000
          0.57900000
  0.427384414000
  0.616509211000
  0.393157697000
********************************************************************************
* Core AIMP: PrQR6L PrQR6L-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  6.2418084000e5  1.4422118000e5  4.6576680000e4  1.6582094000e4  6.3448768000e3  2.5469555000e3  1.0070409000e3  4.0342581000e2  1.8772726000e2 59.128377000000 29.544901000000
 15.002848000000
  0.011604113226  0.009704793548  0.015641253226  0.024858418710  0.037447061290  0.048816103226  0.059323464516  0.112073329032  0.131861929032  0.132010812903  0.266153690323
  0.053730835484
M2
  0
COREREP
 1.0
PROJOP
    2
   15    3
  3.1081452000e3  5.0813216000e2  1.1289924000e2
     889600.00000000
     110030.00000000
      24130.00000000
       7038.00000000
       2447.00000000
        958.20000000
        406.00000000
        164.90000000
         81.13000000
         40.48000000
         18.67000000
          9.71000000
          4.53900000
          2.32900000
          1.08500000
  0.002883949100  0.001044138800  0.000476019790
  0.012069064000  0.004464711500  0.002062617500
  0.041345970000  0.015534758000  0.007114977900
  0.117490910000  0.046261714000  0.021589075000
  0.261852490000  0.112270820000  0.052489359000
  0.391492540000  0.206885910000  0.101621300000
  0.294558210000  0.191440520000  0.096463850000
  0.057143173000 -0.204798640000 -0.139410320000
 -0.016305576000 -0.597206660000 -0.556566860000
 -0.000604972310 -0.343465100000 -0.351090660000
  0.000829133840 -0.035313408000  0.664163060000
  0.005882396600  0.005592467100  0.652851310000
 -0.001455280600 -0.001346781300  0.084683446000
 -0.001293853100 -0.000413719880 -0.002105121300
 -0.000360728690 -0.000284568690  0.000358315110
   12    2
  4.5474134000e2 95.536301000000
       9882.00000000
       2403.00000000
        823.80000000
        333.70000000
        148.80000000
         70.43000000
         33.81000000
         17.00000000
          8.70100000
          4.31400000
          2.12700000
          0.95900000
  0.003683061200  0.001805054100
  0.022686411000  0.011211363000
  0.088814054000  0.045274980000
  0.236150210000  0.126183800000
  0.394734650000  0.226035540000
  0.336213170000  0.152024880000
  0.100311150000 -0.264806770000
  0.000258080770 -0.572017460000
  0.000269492650 -0.284275540000
  0.000052596208 -0.031279547000
  0.001099552700 -0.000412780080
  0.000078057957  0.000098293933
   10    1
 43.270000000000
       1075.00000000
        338.60000000
        135.00000000
         60.23000000
         28.30000000
         13.79000000
          6.70400000
          3.22500000
          1.51300000
          0.63980000
  0.003287671600
  0.023985163000
  0.098683906000
  0.257714340000
  0.406973070000
  0.329741350000
  0.098895688000
  0.005542819800
  0.000253159270
 -0.000140104560
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PrQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Nd.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.32el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
NEODYMIUM (14s,10p,10d,8f,3g) -> [3s,2p,2d,1f,1g]
********************************************************************************
*relativistic core=[M], [7s6p6d4f1g] recommended
*
* NdQR5K NdQR5K-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: NdQR5K-[M]
* mv+dw from NdQR(5K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in NdQR5K NdQR5K-[M]
*            0.75*Bk(3d) rather than so-correct the basis set
********************************************************************************
    32.0   4
* s-type functions
   14    3
    1257863.59000000
     104658.60500000
      15603.05100000
       3219.14641000
        819.30788500
         97.51065560
         58.64861000
         13.97063140
          2.82582717
          1.18661877
       5650.92125e-4
       2581.46231e-4
       6087.45418e-5
       2451.74839e-5
  0.000190671587 -0.000082424504 -0.000022914428
  0.001349150770 -0.000583257506 -0.000162146340
  0.007311223630 -0.003154651700 -0.000877068431
  0.031094251800 -0.013395013600 -0.003724183890
  0.077363737500 -0.032579407300 -0.009065392750
 -0.285071411000  0.121006586000  0.033849446300
 -0.197461241000  0.080314582100  0.022409329800
  1.152980900000 -0.555371863000 -0.158691561000
 -1.149680070000  1.021549000000  0.321169788000
 -0.201047400000  0.133149613000  0.045258547800
  0.012865795000 -0.948689406000 -0.422750646000
 -0.004126468410 -0.423723956000 -0.339018321000
  0.000664692789 -0.009542663840  0.686692377000
 -0.000253302505  0.002164290910  0.536074853000
* p-type functions
   10    2
       2290.83232000
        511.14848500
        155.35670500
         22.55748230
          8.91646412
          5.69762924
          2.51441627
          1.07227114
       4719.31764e-4
       1885.00723e-4
  0.008946485010 -0.003322855080
  0.058468124300 -0.021853635800
  0.156551499000 -0.058153948400
 -0.482339864000  0.194690705000
 -0.380774706000  0.145676622000
  0.650185703000 -0.324930224000
  0.635847256000 -0.405924538000
  0.110927290000  0.241214406000
 -0.004180865180  0.703004352000
  0.001400789980  0.271697715000
* d-type functions
   10    2
        616.55275800
        181.00092400
         67.13217050
         27.42227960
          5.58542515
          2.62262482
          1.21812284
       5154.18425e-4
       1991.67327e-4
       7064.41381e-5
 -0.005426785570  0.001409082670
 -0.039784355700  0.010008792300
 -0.140018735000  0.036761886300
 -0.225527737000  0.054666449700
  0.428593732000 -0.140614562000
  0.483530869000 -0.137826405000
  0.186557329000  0.053267963000
  0.017767572800  0.393108971000
 -0.000016147195  0.509695209000
  0.000069399692  0.259636604000
* f-type functions
    8    1
        104.00742300
         35.27970540
         14.18621780
          6.23497040
          2.79905866
          1.24892394
       5338.03568e-4
       2068.84938e-4
  0.007346244490
  0.046271413800
  0.150956781000
  0.294072676000
  0.368705682000
  0.315930682000
  0.180883931000
  0.052084631800
* g-type functions
    3    1
         12.92000000
          3.36000000
          0.87600000
  0.387891700000
  0.616395495000
  0.399479775000
********************************************************************************
* Core AIMP: NdQR5K NdQR5K-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  6.3620084000e5  1.4277118000e5  4.5120680000e4  1.5862094000e4  6.0482769000e3  2.4331555000e3  9.6618086000e2  3.9767581000e2  1.8864726000e2 59.685377000000 30.426901000000
 15.560848000000
  0.011447978438  0.009870918438  0.015999420000  0.025380012813  0.037661818750  0.047816984375  0.058609096875  0.111249093750  0.121833703125  0.133421575000  0.252477700000
  0.049231700000
M2
  0
COREREP
 1.0
PROJOP
    2
   15    3
  3.2260736000e3  5.3061973000e2  1.1904296000e2
     889800.00000000
     109910.00000000
      24090.00000000
       7028.00000000
       2445.00000000
        960.20000000
        408.70000000
        166.00000000
         81.60000000
         40.83000000
         19.26000000
         10.04000000
          4.74600000
          2.44500000
          1.14600000
  0.003078823000  0.001119213500  0.000512273700
  0.012791041000  0.004758428100  0.002203691200
  0.043467667000  0.016416378000  0.007550956800
  0.122515090000  0.048615594000  0.022752211000
  0.269223760000  0.116448520000  0.054716288000
  0.392279050000  0.210305600000  0.103742760000
  0.284340170000  0.182725620000  0.092450553000
  0.051580982000 -0.230963700000 -0.160079460000
 -0.016401193000 -0.599667060000 -0.569425620000
 -0.000591492250 -0.320939270000 -0.321292940000
  0.001224365700 -0.029912860000  0.684605420000
  0.005916611200  0.004433717500  0.636458330000
 -0.001511860800 -0.000920149550  0.081411513000
 -0.001379055800 -0.000652548340 -0.001642069100
 -0.000361217840 -0.000248776260  0.000228599350
   12    2
  4.7454943000e2  1.0089027000e2
       9977.00000000
       2411.00000000
        822.30000000
        332.60000000
        148.60000000
         70.67000000
         34.13000000
         17.31000000
          8.91400000
          4.46800000
          2.23000000
          1.02300000
  0.003898075000  0.001920434700
  0.024151667000  0.011990838000
  0.094263845000  0.048363732000
  0.246422200000  0.132605020000
  0.398749920000  0.229907830000
  0.324201120000  0.138347380000
  0.091590487000 -0.285871530000
 -0.000484179930 -0.566909760000
  0.000181140010 -0.269595940000
  0.000175327910 -0.028691955000
  0.001097777200 -0.000467192310
  0.000088398678  0.000144112270
   10    1
 56.580000000000
       1067.00000000
        333.20000000
        133.60000000
         60.08000000
         28.54000000
         14.09000000
          6.95500000
          3.40000000
          1.62400000
          0.70650000
  0.003702622600
  0.026637923000
  0.106211010000
  0.267006710000
  0.405333720000
  0.316146790000
  0.093375648000
  0.005521495600
  0.000179283180
 -0.000130554130
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NdQR(5K)-[Kr,4d]
End of Spectral Representation Operator

/Pm.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.33el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
PROMETHIUM (14s,10p,10d,8f,3g) -> [3s,2p,2d,1f,1g]
********************************************************************************
*relativistic core=[M], [7s6p6d4f1g] recommended
*
* PmQR6L PmQR6L-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: PmQR6L-[M]
* mv+dw from PmQR(6L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in PmQR6L PmQR6L-[M]
*            0.73*Bk(3d) rather than so-correct the basis set
********************************************************************************
    33.0   4
* s-type functions
   14    3
    1371315.87000000
     112844.01400000
      16643.71100000
       3389.67503000
        855.95299200
        101.61009700
         61.53259300
         14.68760280
          3.01271230
          1.29679688
       6252.10318e-4
       2820.48882e-4
        615.66863e-4
       2486.04358e-5
  0.000192203925 -0.000082873012 -0.000022749137
  0.001352118800 -0.000583455504 -0.000160160493
  0.007317928100 -0.003146139490 -0.000863682598
  0.031467468800 -0.013565284000 -0.003724004450
  0.077894149000 -0.032586186000 -0.008952266650
 -0.286194901000  0.120140945000  0.033146270900
 -0.200795527000  0.082978446000  0.022921229800
  1.158985650000 -0.557212175000 -0.157201638000
 -1.123528780000  0.983484713000  0.304441781000
 -0.230562849000  0.210196524000  0.070933650400
  0.014049740900 -0.921907711000 -0.392367496000
 -0.004723160690 -0.488973056000 -0.367836849000
  0.000762219713 -0.012194145100  0.685100555000
 -0.000306868456  0.003045558180  0.528527449000
* p-type functions
   10    2
       2392.22299000
        532.80174600
        161.78134300
         23.53189660
          9.48655306
          5.81373099
          2.60213420
          1.10679716
       4866.33821e-4
       1941.41369e-4
  0.008988622490 -0.003319995070
  0.058775285700 -0.021845021900
  0.157738088000 -0.058267872000
 -0.485681396000  0.194973226000
 -0.344517273000  0.129021223000
  0.631333462000 -0.317736387000
  0.624916190000 -0.394348413000
  0.106307848000  0.249445683000
 -0.004203650590  0.697199173000
  0.001380048070  0.269820426000
* d-type functions
   10    2
        646.69574900
        189.75950100
         70.40534190
         28.79845130
          5.85960627
          2.73711946
          1.26121426
       5286.11984e-4
       2034.78013e-4
        720.98294e-4
 -0.005394640470  0.001398120920
 -0.039700208300  0.009961406640
 -0.140376314000  0.036789550500
 -0.227258938000  0.054945146400
  0.433069610000 -0.141949287000
  0.484789013000 -0.137461321000
  0.182097484000  0.061559260400
  0.016398540800  0.399606524000
  0.000045865321  0.505074871000
  0.000054197796  0.253927039000
* f-type functions
    8    1
        113.83727000
         38.82271850
         15.74700290
          6.97849993
          3.14962098
          1.40660815
          0.60114712
       2326.90952e-4
  0.006823760190
  0.043598079200
  0.143534763000
  0.286031754000
  0.367555280000
  0.322039594000
  0.188149606000
  0.056818178000
* g-type functions
    3    1
         13.77000000
          3.59000000
          0.93800000
  0.391033302000
  0.616519831000
  0.395190911000
********************************************************************************
* Core AIMP: PmQR6L PmQR6L-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  6.4794084000e5  1.4345118000e5  4.4932680000e4  1.5689094000e4  5.9660769000e3  2.4006555000e3  9.5416086000e2  3.9829581000e2  1.9072726000e2 60.307377000000 31.236901000000
 16.067848000000
  0.011269508485  0.009844217879  0.015997718788  0.025415451515  0.037346957576  0.046721906061  0.057931200000  0.110210309091  0.114010263636  0.136021196970  0.239197039394
  0.044519078788
M2
  0
COREREP
 1.0
PROJOP
    2
   15    3
  3.3459162000e3  5.5296180000e2  1.2454774000e2
     891600.00000000
     110040.00000000
      24070.00000000
       7015.00000000
       2443.00000000
        961.10000000
        410.60000000
        166.70000000
         81.54000000
         40.76000000
         19.74000000
         10.28000000
          4.85800000
          2.50100000
          1.16900000
  0.003279626100  0.001197407400  0.000550294750
  0.013516443000  0.005055373700  0.002346109200
  0.045712222000  0.017359643000  0.008020580700
  0.127649410000  0.051038055000  0.023944397000
  0.276609370000  0.120743760000  0.057037001000
  0.393245700000  0.213835450000  0.105871060000
  0.273646070000  0.173185910000  0.088041611000
  0.045936699000 -0.260474360000 -0.184180240000
 -0.016467698000 -0.603859010000 -0.584999050000
 -0.000460249490 -0.293972830000 -0.282997130000
  0.001700741700 -0.023267478000  0.713089660000
  0.005857671000  0.003138603600  0.614562790000
 -0.001627632600 -0.000525640770  0.073760525000
 -0.001423435300 -0.000869059100 -0.001422430100
 -0.000339224210 -0.000199087340  0.000154442580
   12    2
  4.9408693000e2  1.0557589000e2
       9992.00000000
       2413.00000000
        822.50000000
        332.40000000
        148.70000000
         70.92000000
         34.35000000
         17.49000000
          9.01900000
          4.56000000
          2.28400000
          1.04800000
  0.004166039200  0.002062161800
  0.025641301000  0.012792707000
  0.099434604000  0.051326072000
  0.256129250000  0.138798560000
  0.402409530000  0.233384800000
  0.313068680000  0.124423140000
  0.083117745000 -0.310548940000
 -0.001271525000 -0.563588230000
  0.000137160870 -0.250206600000
  0.000318203010 -0.024532132000
  0.001077087400 -0.000597365990
  0.000090864971  0.000177180930
   10    1
 55.490000000000
       1061.00000000
        332.40000000
        133.70000000
         60.41000000
         28.86000000
         14.33000000
          7.10600000
          3.48800000
          1.67100000
          0.72730000
  0.004067083300
  0.028797547000
  0.112552600000
  0.275443040000
  0.406125620000
  0.304924600000
  0.086420261000
  0.004845891300
  0.000188737120
 -0.000112039900
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PmQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Sm.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.34el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
SAMARIUM (14s,10p,10d,8f,3g) -> [3s,2p,2d,1f,1g]
********************************************************************************
*relativistic core=[M], [7s6p6d4f1g] recommended
*
* SmQR7K SmQR7K-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: SmQR7K-[M]
* mv+dw from SmQR(7K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in SmQR7K SmQR7K-[M]
*            1.00*Bk(3d) rather than so-correct the basis set
********************************************************************************
    34.0   4
* s-type functions
   14    3
    1525103.37000000
     123815.60700000
      17990.08140000
       3575.70903000
        891.58159100
        105.03671000
         59.92357810
         15.39902930
          3.16202071
          1.37598693
       6500.40345e-4
       2921.79062e-4
       6296.31764e-5
        253.36068e-4
  0.000189495050 -0.000081255311 -0.000022079905
  0.001326456370 -0.000570080411 -0.000154902438
  0.007206666190 -0.003074754370 -0.000835618573
  0.031930844000 -0.013790957700 -0.003747022900
  0.077652502200 -0.032085600600 -0.008727746990
 -0.304475915000  0.128055068000  0.035014427900
 -0.193228003000  0.077512069800  0.021112135700
  1.172672030000 -0.558814625000 -0.155908456000
 -1.120768310000  0.973767680000  0.297679528000
 -0.232481244000  0.210254450000  0.070118759300
  0.011017702600 -0.914024545000 -0.383049064000
 -0.004035551240 -0.490140689000 -0.365432253000
  0.000627694171 -0.012132572700  0.682072538000
 -0.000253658467  0.003048686840  0.528337175000
* p-type functions
   10    2
       2493.43265000
        554.76501500
        168.33753500
         24.53901010
         10.07190700
          5.96144473
          2.69912841
          1.14881228
       5029.73918e-4
       2000.66362e-4
  0.009044274170 -0.003321955770
  0.059094485700 -0.021839307400
  0.158879571000 -0.058361319300
 -0.488469298000  0.195035537000
 -0.318620112000  0.116777162000
  0.618860976000 -0.312332230000
  0.615642630000 -0.384780211000
  0.103315101000  0.253257184000
 -0.004019683030  0.694102828000
  0.001330871930  0.269200233000
* d-type functions
   10    2
        679.85490900
        199.05042500
         73.73091750
         30.15909520
          6.18318623
          2.90765267
          1.34398504
       5477.50038e-4
       2078.51924e-4
       7315.19683e-5
 -0.005323733190  0.001361519570
 -0.039487010400  0.009770342210
 -0.140791438000  0.036414768100
 -0.228302407000  0.054410628400
  0.429095295000 -0.139122337000
  0.482786234000 -0.136998622000
  0.188017827000  0.060429192700
  0.017257020000  0.405028174000
 -0.000184821661  0.505428914000
  0.000151057202  0.251700957000
* f-type functions
    8    1
        125.38089500
         42.55411260
         17.16012220
          7.55941222
          3.40130324
          1.51973496
       6510.08226e-4
       2523.23495e-4
  0.006248340710
  0.041627166500
  0.141334480000
  0.286717800000
  0.368363550000
  0.321954965000
  0.189205691000
  0.058257831000
* g-type functions
    3    1
         14.77000000
          3.86000000
          1.00700000
  0.389980786000
  0.616798462000
  0.395646197000
********************************************************************************
* Core AIMP: SmQR7K SmQR7K-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  5.5755084000e5  1.2612118000e5  4.0671680000e4  1.4495094000e4  5.5971768000e3  2.2784555000e3  9.1508086000e2  3.9266581000e2  1.9080725000e2 60.569377000000 31.885901000000
 16.507848000000
  0.012019316176  0.010154995882  0.016339904706  0.025774061471  0.037212067647  0.045401250000  0.057646611765  0.109286100000  0.104865105882  0.140462258824  0.224911861765
  0.039455879412
M2
  0
COREREP
 1.0
PROJOP
    2
   15    3
  3.4683422000e3  5.7585746000e2  1.3018083000e2
     891200.00000000
     110050.00000000
      23960.00000000
       6965.00000000
       2424.00000000
        954.90000000
        409.50000000
        166.40000000
         80.82000000
         40.09000000
         20.03000000
         10.46000000
          4.99600000
          2.56800000
          1.19800000
  0.003491865100  0.001280289000  0.000590503150
  0.014309798000  0.005382006100  0.002503547400
  0.048271622000  0.018432400000  0.008550198600
  0.133772710000  0.053920236000  0.025365948000
  0.285614170000  0.125927970000  0.059784010000
  0.394118570000  0.217891450000  0.108353440000
  0.260678080000  0.160895700000  0.081991108000
  0.039334197000 -0.295348280000 -0.213022140000
 -0.016196652000 -0.607934160000 -0.603094640000
 -0.000373492630 -0.262771390000 -0.230929500000
  0.002345098100 -0.014572280000  0.746520270000
  0.005674103400  0.001404998700  0.581266190000
 -0.001720001600  0.000028128583  0.066430337000
 -0.001484407500 -0.001147087100 -0.000967081770
 -0.000320323800 -0.000140493400  0.000073385994
   12    2
  5.1403827000e2  1.1035462000e2
       9965.00000000
       2404.00000000
        820.20000000
        331.90000000
        148.70000000
         71.03000000
         34.39000000
         17.57000000
          9.06600000
          4.63100000
          2.33400000
          1.07500000
  0.004477788300  0.002227975300
  0.027377173000  0.013719008000
  0.104925480000  0.054508887000
  0.265667600000  0.144905650000
  0.405778540000  0.236731090000
  0.301920210000  0.108578980000
  0.074568187000 -0.338589310000
 -0.002182601500 -0.557630340000
  0.000202213590 -0.228568100000
  0.000422020210 -0.020199887000
  0.001065643000 -0.000740058220
  0.000089891633  0.000211262610
   10    1
 83.173637000000
       1074.00000000
        334.70000000
        134.30000000
         60.71000000
         29.13000000
         14.54000000
          7.23900000
          3.56600000
          1.71200000
          0.74490000
  0.004336376300
  0.030728060000
  0.119156550000
  0.284740340000
  0.406582360000
  0.293239300000
  0.079502008000
  0.004198699200
  0.000193554490
 -0.000094795009
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
SmQR(7K)-[Kr,4d]
End of Spectral Representation Operator

/Eu.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.35el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
EUROPIUM (14s,10p,10d,8f,3g) -> [3s,2p,2d,1f,1g]
********************************************************************************
*relativistic core=[M], [7s6p6d4f1g] recommended
*
* EuQR10D EuQR10D-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: EuQR10D-[M]
* mv+dw from EuQR(10D)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in EuQR10D EuQR10D-[M]
*            1.0*Bk(3d) rather than so-correct the basis set
********************************************************************************
    35.0   4
* s-type functions
   14    3
    1707217.81000000
     136732.89400000
      19556.57340000
       3764.23974000
        926.44214200
        109.73498800
         63.03800310
         16.08284520
          3.30488448
          1.45078348
       6437.96239e-4
       2767.48183e-4
       5185.92946e-5
       2210.49429e-5
  0.000184574567 -0.000076033538 -0.000019923165
  0.001284580150 -0.000531881384 -0.000139362413
  0.007019475360 -0.002865262610 -0.000750865799
  0.032503119800 -0.013671172900 -0.003581667740
  0.076373802100 -0.029892095900 -0.007838953300
 -0.299759048000  0.120957384000  0.031820833500
 -0.197157919000  0.076817366200  0.020282886000
  1.169974560000 -0.536218950000 -0.144208003000
 -1.111122550000  0.916661871000  0.270128769000
 -0.238371820000  0.204369043000  0.053894167400
  0.007227274630 -0.878854112000 -0.331756144000
 -0.003108462000 -0.490539457000 -0.342994333000
  0.000380609177 -0.016158584500  0.696999350000
 -0.000337861988  0.000742417246  0.481990725000
* p-type functions
   10    2
       2607.86701000
        578.82695700
        175.28029100
         25.53809990
         10.59786290
          6.08703336
          2.75978052
          1.15671179
          0.49372763
       1917.68584e-4
  0.009019078930 -0.003155340760
  0.059061365800 -0.020784418000
  0.159508347000 -0.055804874400
 -0.490737179000  0.186207219000
 -0.296025651000  0.101500725000
  0.616133944000 -0.296012444000
  0.604705536000 -0.353192124000
  0.098064522100  0.244189784000
 -0.003969887170  0.672485867000
  0.001423342800  0.293822358000
* d-type functions
   10    2
        705.39682200
        206.94637600
         76.88279110
         31.55540880
          6.45138637
          2.98961936
          1.33880707
          0.47431864
       1508.26757e-4
       4531.10525e-5
 -0.005347225150  0.000946551347
 -0.039469371700  0.006755652970
 -0.140407888000  0.025128308600
 -0.227745428000  0.037588450100
  0.433270183000 -0.094371547000
  0.487346269000 -0.098542263900
  0.185705491000  0.054552612200
  0.014379934500  0.328640471000
 -0.000684005303  0.497635383000
  0.000233032017  0.409233526000
* f-type functions
    8    1
        133.92580100
         45.47987550
         18.37375210
          8.08455496
          3.60560423
          1.57317112
       6414.59525e-4
       2270.91571e-4
  0.005820490490
  0.039274455000
  0.134508737000
  0.276720021000
  0.362901918000
  0.331265231000
  0.211944590000
  0.081760104600
* g-type functions
    3    1
         14.21000000
          3.61000000
          0.88700000
  0.413926285000
  0.617057922000
  0.389928602000
********************************************************************************
* Core AIMP: EuQR10D EuQR10D-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  5.7367084000e5  1.2898118000e5  4.1386680000e4  1.4691094000e4  5.6487769000e3  2.2858555000e3  9.1211086000e2  3.9369581000e2  1.9222726000e2 61.298377000000 32.622901000000
 16.955848000000
  0.011765051429  0.010003247714  0.016130855714  0.025468215429  0.036743854286  0.044637914286  0.057653397143  0.108635422857  0.097686657143  0.143673431429  0.212404697143
  0.035197257143
M2
  0
COREREP
 1.0
PROJOP
    2
   15    3
  3.5927212000e3  5.9860097000e2  1.3515586000e2
     891000.00000000
     110090.00000000
      23940.00000000
       6941.00000000
       2411.00000000
        949.90000000
        408.70000000
        166.60000000
         80.32000000
         39.30000000
         20.23000000
         10.58000000
          5.09000000
          2.60200000
          1.20500000
  0.003719733800  0.001369911000  0.000634089760
  0.015102260000  0.005711272200  0.002662565100
  0.050689163000  0.019464787000  0.009064732800
  0.139704900000  0.056751005000  0.026765463000
  0.294435020000  0.131117380000  0.062560331000
  0.394640550000  0.221622880000  0.110649130000
  0.247862970000  0.147997860000  0.075524688000
  0.033377714000 -0.327786170000 -0.241028100000
 -0.015810216000 -0.610169020000 -0.618151170000
 -0.000331258140 -0.234775210000 -0.176082170000
  0.003074461200 -0.005910727000  0.779247900000
  0.005386972300 -0.000334540310  0.544085700000
 -0.001821976700  0.000539310990  0.057692077000
 -0.001521883800 -0.001391680100 -0.000520231600
 -0.000295270790 -0.000081111458  0.000028350370
   12    2
  5.3369853000e2  1.1444226000e2
      10023.00000000
       2416.00000000
        822.80000000
        332.10000000
        148.60000000
         71.04000000
         34.53000000
         17.67000000
          9.08800000
          4.62300000
          2.31100000
          1.04200000
  0.004742266500  0.002368951100
  0.028851966000  0.014530204000
  0.110141920000  0.057527936000
  0.275778470000  0.151483210000
  0.409521330000  0.239831040000
  0.289713470000  0.091880728000
  0.066224631000 -0.364555620000
 -0.002453969100 -0.551350250000
  0.000051846453 -0.208568790000
  0.000668482110 -0.015919691000
  0.000983834500 -0.000735031560
  0.000085487918  0.000195635480
   10    1
 86.374230000000
       1069.00000000
        333.60000000
        133.90000000
         60.48000000
         28.98000000
         14.43000000
          7.13600000
          3.49100000
          1.65800000
          0.70140000
  0.004745612500
  0.033231810000
  0.127163000000
  0.297767370000
  0.410799510000
  0.277559400000
  0.067801417000
  0.002850295800
  0.000242274230
 -0.000064004437
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
EuQR(10D)-[Kr,4d]
End of Spectral Representation Operator

/Gd.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.36el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
GADOLINIUM (14s,10p,10d,8f,3g) -> [3s,2p,2d,1f,1g]
********************************************************************************
*relativistic core=[M], [7s6p6d4f1g] recommended
*
* GdQR9D GdQR9D-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: GdQR9D-[M]
* mv+dw from GdQR(9D)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in GdQR9D GdQR9D-[M]
*            3.0*Bk(3d) rather than so-correct the basis set
********************************************************************************
    36.0   4
* s-type functions
   14    3
    1849164.84000000
     146530.83000000
      20725.79130000
       3950.62856000
        967.06664100
        113.94083400
         65.51861920
         16.79689500
          3.46724611
          1.51890954
       7035.41439e-4
       3145.80082e-4
       6646.92634e-5
       2658.57222e-5
  0.000186781577 -0.000079210324 -0.000021265080
  0.001293861850 -0.000551531805 -0.000148053046
  0.007058229230 -0.002965293440 -0.000796208877
  0.032744101600 -0.014186257600 -0.003807309340
  0.076831190500 -0.030902584900 -0.008306007810
 -0.303094657000  0.125697921000  0.033948586900
 -0.197348636000  0.079054435300  0.021272122400
  1.177105580000 -0.555726929000 -0.153051720000
 -1.115796350000  0.955283679000  0.287246113000
 -0.238206315000  0.215971270000  0.071498453300
  0.009625663260 -0.899311706000 -0.368956089000
 -0.003825655200 -0.497678945000 -0.365477163000
  0.000602473322 -0.012887387800  0.675935821000
 -0.000245970865  0.003314637580  0.530261416000
* p-type functions
   10    2
       2714.21599000
        601.61079300
        182.11435800
         26.58340030
         11.06173370
          6.35403437
          2.90533127
          1.24125513
       5393.42236e-4
       2133.15795e-4
  0.009105313340 -0.003307007100
  0.059556194800 -0.021760128100
  0.160955639000 -0.058457444000
 -0.495436307000  0.195493865000
 -0.293714344000  0.104030851000
  0.616642036000 -0.309312388000
  0.601443883000 -0.369535753000
  0.099166960900  0.254046532000
 -0.003496323240  0.689506466000
  0.001204061540  0.272272957000
* d-type functions
   10    2
        738.83312200
        216.59017600
         80.42697000
         33.01818380
          6.78119077
          3.17681225
          1.46277785
       5928.35084e-4
       2200.44398e-4
       7467.69583e-5
 -0.005320618730  0.001265576670
 -0.039434200600  0.009066464410
 -0.141212725000  0.033976093300
 -0.230018473000  0.050929703500
  0.433509358000 -0.130486499000
  0.481818151000 -0.125797527000
  0.185547723000  0.053947701000
  0.016804238900  0.378817333000
 -0.000125558910  0.510873472000
  0.000142827420  0.289029873000
* f-type functions
    8    1
        155.05704800
         52.85551790
         21.57476660
          9.61769912
          4.38336416
          1.97273608
       8433.10977e-4
          0.32213916
  0.004895652490
  0.034466613700
  0.121937696000
  0.263773368000
  0.360614755000
  0.338326459000
  0.213802807000
  0.072322780100
* g-type functions
    3    1
         16.74000000
          4.40000000
          1.15200000
  0.390243441000
  0.616542392000
  0.393723313000
********************************************************************************
* Core AIMP: GdQR9D GdQR9D-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  5.9220084000e5  1.3199118000e5  4.2068680000e4  1.4841094000e4  5.6716768000e3  2.2771555000e3  9.0136086000e2  3.9206581000e2  1.9221725000e2 61.929377000000 33.316901000000
 17.421848000000
  0.011510256389  0.009871862778  0.015967951667  0.025274353333  0.036420916667  0.044059411111  0.058092972222  0.108247300000  0.090079394444  0.147093791667  0.199752697222
  0.031406866667
M2
  0
COREREP
 1.0
PROJOP
    2
   15    3
  3.7210609000e3  6.2333085000e2  1.4182383000e2
     890299.98000000
     110156.66000000
      23906.41000000
       6913.03540000
       2397.24910000
        944.90895000
        407.78372000
        166.83462000
         79.98913300
         38.86782000
         20.21366400
         10.58465400
          5.10370180
          2.61342830
          1.20500000
  0.003958630200  0.001464468900  0.000679815200
  0.015932597000  0.006057324300  0.002831333600
  0.053230954000  0.020558700000  0.009604360100
  0.145839830000  0.059697335000  0.028241118000
  0.303106970000  0.136354680000  0.065326405000
  0.394438210000  0.224873380000  0.112814260000
  0.235122440000  0.134224160000  0.068174402000
  0.027838709000 -0.359423250000 -0.268565820000
 -0.015371385000 -0.606302360000 -0.628333790000
 -0.000309317140 -0.209560810000 -0.112808620000
  0.003947715200 -0.001405612700  0.810457780000
  0.004968699300 -0.000505594860  0.497474020000
 -0.002005769600  0.000353965270  0.047394804000
 -0.001521381800 -0.001360200300 -0.000405552240
 -0.000247452960 -0.000065744157 -0.000057793915
   12    2
  5.5517597000e2  1.2017628000e2
       9953.79030000
       2404.18260000
        819.89896000
        331.61232000
        148.67510000
         71.10496900
         34.41708300
         17.60604700
          9.01458660
          4.63878530
          2.34806120
          1.07760000
  0.005104906300  0.002563213600
  0.030768075000  0.015556164000
  0.116001090000  0.060971895000
  0.284917510000  0.157422720000
  0.411459590000  0.242095430000
  0.278745540000  0.073572325000
  0.058542231000 -0.395691290000
 -0.003213871700 -0.541341230000
  0.000212167280 -0.184742400000
  0.000755127270 -0.011532018000
  0.000961857800 -0.000884398080
  0.000077283528  0.000254026300
   10    1
  2.7353000000e2
       1080.35740000
        335.73365000
        134.51755000
         60.72932900
         29.14513700
         14.56861500
          7.28021070
          3.60128200
          1.73533000
          0.75407000
  0.005051513200
  0.035347694000
  0.134032220000
  0.307711640000
  0.411114330000
  0.263823450000
  0.061499114000
  0.002717858100
  0.000136448540
 -0.000050966711
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
GdQR(9D)-[Kr,4d]
End of Spectral Representation Operator

/Tb.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.37el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
TERBIUM (14s,10p,10d,8f,3g) -> [3s,2p,2d,1f,1g]
********************************************************************************
*relativistic core=[M], [7s6p6d4f1g] recommended
*
* TbQR8H TbQR8H-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: TbQR8H-[M]
* mv+dw from TbQR(8H)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in TbQR8H TbQR8H-[M]
*            1.2*Bk(3d) rather than so-correct the basis set
********************************************************************************
    37.0   4
* s-type functions
   14    3
    2006713.52000000
     157280.41100000
      21986.67350000
       4148.31136000
       1009.79186000
        117.93537300
         67.52507570
         17.53728540
          3.62826801
          1.59892798
       7326.60362e-4
       3271.11197e-4
       6871.18594e-5
       2736.74396e-5
  0.000188192604 -0.000079807779 -0.000021356045
  0.001298050080 -0.000553361276 -0.000148063503
  0.007070940640 -0.002969609150 -0.000794778675
  0.032878557200 -0.014256509300 -0.003813806780
  0.077045074000 -0.030923414000 -0.008284367570
 -0.308986826000  0.127923899000  0.034436326600
 -0.194084617000  0.077427104600  0.020758530900
  1.180679340000 -0.556050452000 -0.152587945000
 -1.113033000000  0.950073565000  0.284281333000
 -0.240884928000  0.215901828000  0.071528560500
  0.008458984140 -0.892740541000 -0.364561481000
 -0.003616303100 -0.500180220000 -0.365401244000
  0.000569085818 -0.013073546400  0.675606175000
 -0.000232955879  0.003346527440  0.529583221000
* p-type functions
   10    2
       2829.49030000
        625.64983800
        189.19856300
         27.63358990
         11.44818180
          6.59962095
          3.00528018
          1.26269699
       5498.04544e-4
       2175.43224e-4
  0.009140249380 -0.003308511030
  0.059820556600 -0.021782848800
  0.161922615000 -0.058604242700
 -0.499527339000  0.196259981000
 -0.292473957000  0.103293861000
  0.626016954000 -0.313938382000
  0.598703413000 -0.362753324000
  0.094890324300  0.268709553000
 -0.004307780150  0.683340190000
  0.001342247520  0.263706510000
* d-type functions
   10    2
        767.21865700
        224.99261700
         83.66843760
         34.44017980
          7.10374253
          3.32405225
          1.52121503
       5961.07412e-4
       2157.34507e-4
       7164.96739e-5
 -0.005359435930  0.001204540490
 -0.039688623900  0.008615637240
 -0.141948680000  0.032275867100
 -0.231056202000  0.048275807300
  0.433791816000 -0.122450332000
  0.483089426000 -0.119739377000
  0.185175614000  0.053819153900
  0.015909599700  0.373446435000
 -0.000380265687  0.511551277000
  0.000161752271  0.302991525000
* f-type functions
    8    1
        161.42845000
         55.10137030
         22.53290920
         10.04408000
          4.55917350
          2.03518443
       8606.23121e-4
       3256.77398e-4
  0.004975429570
  0.035007505200
  0.123746972000
  0.266709364000
  0.362450560000
  0.337647217000
  0.212085940000
  0.071755290000
* g-type functions
    3    1
         17.45000000
          4.57000000
          1.18600000
  0.395601406000
  0.616349388000
  0.391351163000
********************************************************************************
* Core AIMP: TbQR8H TbQR8H-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  6.1321084000e5  1.3590118000e5  4.3129680000e4  1.5155094000e4  5.7614769000e3  2.2939555000e3  8.9863086000e2  3.9174581000e2  1.9180725000e2 62.542377000000 33.931901000000
 17.824848000000
  0.011241442973  0.009696172162  0.015708778108  0.024914074054  0.035951510811  0.043512581081  0.058610275676  0.108059616216  0.083196359459  0.151010181081  0.187256043243
  0.027599724324
M2
  0
COREREP
 1.0
PROJOP
    2
   15    3
  3.8514879000e3  6.4799991000e2  1.4791836000e2
     891600.00000000
     110180.00000000
      24010.00000000
       6982.00000000
       2431.00000000
        959.00000000
        413.90000000
        169.80000000
         80.86000000
         38.41000000
         20.52000000
         10.76000000
          5.24000000
          2.68200000
          1.23400000
  0.004213525300  0.001566104600  0.000729479300
  0.016774998000  0.006411154100  0.003002307200
  0.055233729000  0.021454818000  0.010061169000
  0.149149940000  0.061470350000  0.029140045000
  0.306707930000  0.138970360000  0.066878266000
  0.394189390000  0.226547100000  0.113885390000
  0.228720360000  0.126210630000  0.064200183000
  0.024778828000 -0.377438370000 -0.286290120000
 -0.015226310000 -0.608106900000 -0.635800370000
 -0.000284138020 -0.194358410000 -0.070289318000
  0.004563371900  0.006198714200  0.826561780000
  0.004747980500 -0.002462915800  0.468558310000
 -0.002108597100  0.001008275000  0.042129923000
 -0.001561407200 -0.001655880000 -0.000065435415
 -0.000233949540 -0.000004944772 -0.000115548390
   12    2
  5.7643795000e2  1.2529951000e2
      10031.00000000
       2413.00000000
        821.60000000
        331.90000000
        148.70000000
         71.11000000
         34.45000000
         17.63000000
          8.98900000
          4.63500000
          2.35200000
          1.08000000
  0.005395656100  0.002720354500
  0.032458711000  0.016483247000
  0.121517710000  0.064218958000
  0.294478950000  0.163731380000
  0.413708050000  0.244046400000
  0.266822610000  0.054551381000
  0.051297003000 -0.422324540000
 -0.003405470200 -0.529479370000
  0.000188600090 -0.165239160000
  0.000933325780 -0.008362895900
  0.000894204090 -0.000903830480
  0.000074140463  0.000259890990
   10    1
  1.1442000000e2
       1080.00000000
        335.90000000
        134.50000000
         60.69000000
         29.14000000
         14.56000000
          7.27400000
          3.60100000
          1.73700000
          0.75500000
  0.005461326600
  0.037864000000
  0.141987930000
  0.318951520000
  0.411733010000
  0.249190160000
  0.053422051000
  0.002135958800
  0.000106789550
 -0.000030283175
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TbQR(8H)-[Kr,4d]
End of Spectral Representation Operator

/Dy.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.38el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
DYSPROSIUM (14s,10p,10d,8f,3g) -> [3s,2p,2d,1f,1g]
********************************************************************************
*relativistic core=[M], [7s6p6d4f1g] recommended
*
* DyQR7K DyQR7K-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: DyQR7K-[M]
* mv+dw from DyQR(7K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in DyQR7K DyQR7K-[M]
*            1.3*Bk(3d) rather than so-correct the basis set
********************************************************************************
    38.0   4
* s-type functions
   14    3
    2178492.62000000
     168922.37400000
      23336.62260000
       4352.92817000
       1053.51716000
        122.15707100
         69.79250270
         18.28585540
          3.79919872
          1.69883247
       7584.99918e-4
       3380.26232e-4
       7063.71314e-5
       2805.38577e-5
  0.000189407163 -0.000080239212 -0.000021341521
  0.001300798510 -0.000554091227 -0.000147361922
  0.007076154190 -0.002967002520 -0.000789270053
  0.033044482600 -0.014337593800 -0.003812302250
  0.077118369600 -0.030827725100 -0.008208450220
 -0.313374149000  0.129385641000  0.034617495500
 -0.191634441000  0.076151448200  0.020284867600
  1.183892900000 -0.555939652000 -0.151578173000
 -1.106796260000  0.941063833000  0.279341643000
 -0.245901462000  0.215872497000  0.071105840300
  0.005422166550 -0.887365719000 -0.359847049000
 -0.002967216660 -0.498208453000 -0.362271346000
  0.000451628872 -0.013028029700  0.673244861000
 -0.000185611483  0.003325422090  0.530182264000
* p-type functions
   10    2
       2942.28686000
        649.62288300
        196.36399300
         28.73740260
         12.16973950
          6.67226524
          3.05550748
          1.24568535
       5453.22282e-4
       2165.88667e-4
  0.009197080120 -0.003315305490
  0.060121260700 -0.021800340800
  0.162802117000 -0.058673833300
 -0.501616857000  0.196167241000
 -0.265613615000  0.092203470800
  0.624998741000 -0.318327377000
  0.584672539000 -0.344594644000
  0.085142650000  0.303908815000
 -0.005544726910  0.669222607000
  0.001535946290  0.242636878000
* d-type functions
   10    2
        802.68335700
        235.14557200
         87.38858390
         35.97623810
          7.42086101
          3.46811649
          1.58204307
       6104.56637e-4
       2181.00386e-4
       7147.53547e-5
 -0.005308381250  0.001155565410
 -0.039487707700  0.008297511150
 -0.142096254000  0.031292647000
 -0.232318088000  0.046990589300
  0.435389358000 -0.118739256000
  0.482994851000 -0.116138627000
  0.184270064000  0.053906384400
  0.015461472100  0.369102199000
 -0.000434403809  0.511536995000
  0.000172467480  0.312645953000
* f-type functions
    8    1
        171.19924300
         58.43012510
         23.91245710
         10.67139630
          4.84943298
          2.16159238
       9106.98135e-4
       3418.58477e-4
  0.004841172030
  0.034467817500
  0.122796496000
  0.265300370000
  0.361072986000
  0.338220254000
  0.215273618000
  0.075092669300
* g-type functions
    3    1
         18.35000000
          4.80000000
          1.23700000
  0.397116315000
  0.616157552000
  0.391880643000
********************************************************************************
* Core AIMP: DyQR7K DyQR7K-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  5.5057084000e5  1.2554118000e5  4.0741680000e4  1.4581094000e4  5.6149769000e3  2.2458555000e3  8.7961086000e2  3.8801581000e2  1.9008725000e2 63.268377000000 34.559901000000
 18.218848000000
  0.011701427895  0.009832500000  0.015780547895  0.024804865526  0.035422668421  0.042648342105  0.059407344737  0.107354231579  0.075834971053  0.154252592105  0.175566142105
  0.024236470000
M2
  0
COREREP
 1.0
PROJOP
    2
   15    3
  3.9846209000e3  6.7324662000e2  1.5413639000e2
     891600.00000000
     110250.00000000
      24130.00000000
       7034.00000000
       2449.00000000
        965.10000000
        416.50000000
        171.80000000
         81.38000000
         37.89000000
         20.57000000
         10.78000000
          5.34000000
          2.73100000
          1.25200000
  0.004484424100  0.001674702900  0.000782529110
  0.017630028000  0.006773534800  0.003178136000
  0.057298902000  0.022385895000  0.010535134000
  0.153388630000  0.063655547000  0.030240235000
  0.312489940000  0.142767420000  0.069008490000
  0.394143100000  0.228825690000  0.115327490000
  0.219622830000  0.115051600000  0.058350419000
  0.020802114000 -0.399377560000 -0.307634520000
 -0.014822743000 -0.605155090000 -0.639978240000
 -0.000299647300 -0.177877100000 -0.012943027000
  0.005396751100  0.012186529000  0.843697870000
  0.004304525900 -0.003879988300  0.427024890000
 -0.002216551600  0.001426641300  0.034438548000
 -0.001590662600 -0.001839915100  0.000577392880
 -0.000211434310  0.000037931816 -0.000221355800
   12    2
  5.9810818000e2  1.3050348000e2
      10125.00000000
       2429.00000000
        824.70000000
        332.50000000
        148.90000000
         71.25000000
         34.71000000
         17.83000000
          9.11100000
          4.71200000
          2.39800000
          1.10000000
  0.005674145700  0.002870495000
  0.034076300000  0.017385704000
  0.127062230000  0.067474367000
  0.303769160000  0.170000700000
  0.414963930000  0.244949010000
  0.254951010000  0.036318185000
  0.045063652000 -0.441486950000
 -0.003233546000 -0.516297440000
  0.000027588824 -0.152502380000
  0.001135703700 -0.007043563200
  0.000833021940 -0.000818771520
  0.000083059503  0.000241994470
   10    1
  1.2945900000e2
       1079.00000000
        336.10000000
        134.60000000
         60.69000000
         29.14000000
         14.55000000
          7.26700000
          3.60000000
          1.73800000
          0.75370000
  0.005902211500
  0.040447831000
  0.149922160000
  0.330018090000
  0.411380690000
  0.234611920000
  0.046251725000
  0.001699181600
  0.000079595109
 -0.000012847888
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
DyQR(7K)-[Kr,4d]
End of Spectral Representation Operator

/Ho.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.39el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
HOLMIUM (14s,10p,10d,8f,3g) -> [3s,2p,2d,1f,1g]
********************************************************************************
*relativistic core=[M], [7s6p6d4f1g] recommended
*
* HoQR6L HoQR6L-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: HoQR6L-[M]
* mv+dw from HoQR(6L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in HoQR6L HoQR6L-[M]
*            3.0*Bk(3d) rather than so-correct the basis set
********************************************************************************
    39.0   4
* s-type functions
   14    3
    2358917.81000000
     181111.60900000
      24736.96270000
       4557.21267000
       1096.81278000
        126.91856500
         72.52440760
         19.05717310
          3.96748999
          1.78660114
       7856.14493e-4
          0.34920477
       7251.99733e-5
       2867.42138e-5
  0.000190734278 -0.000080628682 -0.000021281188
  0.001303604940 -0.000554324882 -0.000146296976
  0.007081625490 -0.002960472200 -0.000781516206
  0.033278798700 -0.014446340500 -0.003811786560
  0.077014384800 -0.030590861100 -0.008083264260
 -0.313937502000  0.129133911000  0.034285442100
 -0.192718265000  0.076345183400  0.020177681200
  1.186200040000 -0.555022951000 -0.150124367000
 -1.103651900000  0.934076579000  0.274714239000
 -0.248340142000  0.215063403000  0.070089055900
  0.003647519550 -0.881945792000 -0.353425126000
 -0.002527656650 -0.498204987000 -0.360358234000
  0.000364740337 -0.013033417800  0.668559372000
 -0.000149784930  0.003337345390  0.532987903000
* p-type functions
   10    2
       3072.94110000
        676.58535700
        204.08649300
         29.75378070
         11.88974750
          7.25331301
          3.24535441
          1.34209018
       5814.88298e-4
       2292.38632e-4
  0.009192029180 -0.003297830500
  0.060208628600 -0.021730060800
  0.163752992000 -0.058728196600
 -0.509617808000  0.197944337000
 -0.317778507000  0.112443281000
  0.662589548000 -0.325363042000
  0.599243886000 -0.356668552000
  0.091682105100  0.277990621000
 -0.004818932870  0.676717589000
  0.001440588050  0.260128012000
* d-type functions
   10    2
        836.47741600
        245.03273800
         91.10422260
         37.54005570
          7.73869278
          3.61001240
          1.64378202
          0.63309403
       2247.18325e-4
       7288.68213e-5
 -0.005284486030  0.001128349030
 -0.039351506200  0.008106295510
 -0.142119208000  0.030700997900
 -0.233092758000  0.046223281400
  0.437793292000 -0.117227984000
  0.482398526000 -0.113507037000
  0.182855885000  0.053341497900
  0.015238431000  0.364015107000
 -0.000364508666  0.512062025000
  0.000168743451  0.320800885000
* f-type functions
    8    1
        179.05953200
         61.11407210
         25.01472270
         11.15417120
          5.06015824
          2.25277775
       9474.87732e-4
       3542.60717e-4
  0.004848714220
  0.034707369500
  0.124107096000
  0.267664488000
  0.361499447000
  0.336049731000
  0.214451034000
  0.075901779200
* g-type functions
    3    1
         19.25000000
          5.03000000
          1.28900000
  0.399019867000
  0.616103742000
  0.391477776000
********************************************************************************
* Core AIMP: HoQR6L HoQR6L-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  5.6762084000e5  1.2845118000e5  4.1444680000e4  1.4775094000e4  5.6762769000e3  2.2653555000e3  8.8417086000e2  3.9030581000e2  1.8958725000e2 64.060377000000 35.110901000000
 18.537848000000
  0.011469883846  0.009713217692  0.015617336410  0.024531812051  0.034870884615  0.041821738462  0.059585376923  0.106716576923  0.070630794872  0.157762910256  0.164335082051
  0.020893105897
M2
  0
COREREP
 1.0
PROJOP
    2
   15    3
  4.1205061000e3  6.9909076000e2  1.6049005000e2
     890900.00000000
     110700.00000000
      24320.00000000
       7104.00000000
       2478.00000000
        978.20000000
        423.40000000
        175.20000000
         82.90000000
         38.20000000
         20.96000000
         10.99000000
          5.53200000
          2.83100000
          1.29900000
  0.004762638800  0.001787065700  0.000837474620
  0.018446973000  0.007124786700  0.003349592800
  0.059305388000  0.023303040000  0.011002910000
  0.157161810000  0.065665881000  0.031263247000
  0.316472060000  0.145660990000  0.070687500000
  0.392457890000  0.229657150000  0.116012550000
  0.213117750000  0.106259670000  0.053647568000
  0.018762919000 -0.412609060000 -0.321727830000
 -0.015040889000 -0.600898660000 -0.639523230000
 -0.000043639612 -0.168944790000  0.021806194000
  0.005744114100  0.015407393000  0.848348930000
  0.004240101200 -0.004694155400  0.405092940000
 -0.002350289200  0.001700553800  0.030643314000
 -0.001628455200 -0.001976930600  0.001077634000
 -0.000215800800  0.000055150772 -0.000298866370
   12    2
  6.2019807000e2  1.3579814000e2
      10211.00000000
       2453.00000000
        834.60000000
        337.50000000
        151.50000000
         72.59000000
         35.42000000
         18.20000000
          9.27100000
          4.79700000
          2.44300000
          1.11900000
  0.005956449900  0.003024352200
  0.035447553000  0.018161484000
  0.130614890000  0.069682616000
  0.308005620000  0.173222780000
  0.414405040000  0.244980800000
  0.249077250000  0.026387621000
  0.042092649000 -0.453280090000
 -0.003308642500 -0.509567080000
  0.000029305268 -0.143898330000
  0.001244092900 -0.005697638400
  0.000810749480 -0.000842297510
  0.000082754445  0.000247155590
   10    1
  3.1164000000e2
       1080.00000000
        336.20000000
        134.60000000
         60.66000000
         29.13000000
         14.53000000
          7.28300000
          3.62100000
          1.75300000
          0.75900000
  0.006360234600
  0.043213489000
  0.158199140000
  0.340790810000
  0.409983280000
  0.219887000000
  0.039793131000
  0.001571878600
  0.000001946516
  0.000015124511
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
HoQR(6L)-[Kr,4d]
End of Spectral Representation Operator

/Er.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.40el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
ERBIUM (14s,10p,10d,8f,3g) -> [3s,2p,2d,1f,1g]
********************************************************************************
*relativistic core=[M], [7s6p6d4f1g] recommended
*
* ErQR5L ErQR5L-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: ErQR5L-[M]
* mv+dw from ErQR(5L)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in ErQR5L ErQR5L-[M]
*            3.0*Bk(3d) rather than so-correct the basis set
********************************************************************************
    40.0   4
* s-type functions
   14    3
    2531908.53000000
     192545.70400000
      26040.62590000
       4795.09836000
       1149.18986000
        130.80085900
         74.27195930
         19.86413090
          4.14566762
          1.88117767
       8125.83117e-4
       3607.06849e-4
       7415.72052e-5
       2925.07062e-5
  0.000194457536 -0.000082549034 -0.000021624489
  0.001323805070 -0.000564650973 -0.000147907455
  0.007153828350 -0.003007894840 -0.000788039358
  0.033085529100 -0.014345654200 -0.003757245890
  0.077960622900 -0.031238224200 -0.008190546370
 -0.323083883000  0.133138986000  0.035080193000
 -0.186305040000  0.073074607400  0.019155900800
  1.189670770000 -0.555312577000 -0.149016976000
 -1.099138000000  0.928761676000  0.270633024000
 -0.252467757000  0.211899510000  0.068631898400
  0.002358415260 -0.877087763000 -0.348713792000
 -0.002283945260 -0.496130123000 -0.355832996000
  0.000329953206 -0.013109143000  0.667322847000
 -0.000136748819  0.003403199090  0.531547375000
* p-type functions
   10    2
       3198.12518000
        702.75600000
        211.73270700
         30.89420090
         12.49228630
          7.43711516
          3.34825931
          1.37946306
       5967.63371e-4
       2348.60427e-4
  0.009223820330 -0.003295148350
  0.060410926000 -0.021707878600
  0.164590328000 -0.058773324300
 -0.511851380000  0.197868504000
 -0.298799144000  0.103945274000
  0.655170161000 -0.322470104000
  0.591922902000 -0.348380936000
  0.088868956700  0.283505079000
 -0.004845491850  0.672741375000
  0.001433492090  0.258321173000
* d-type functions
   10    2
        869.30005600
        254.58225400
         94.69374200
         39.07398840
          8.08788326
          3.78046019
          1.72305018
       6599.88441e-4
       2325.44145e-4
       7478.70578e-5
 -0.005286814220  0.001113058700
 -0.039404620400  0.008004236190
 -0.142530724000  0.030359434200
 -0.233820139000  0.045734582300
  0.436428643000 -0.115221257000
  0.481727280000 -0.111883322000
  0.184802084000  0.051076531000
  0.015709403500  0.359782461000
 -0.000397339414  0.512842526000
  0.000201032959  0.328385019000
* f-type functions
    8    1
        187.58534500
         64.06248300
         26.27768420
         11.73489510
          5.32809252
          2.36686191
       9890.85244e-4
       3665.60341e-4
  0.004824556100
  0.034643094900
  0.124098124000
  0.267474561000
  0.360844311000
  0.336523259000
  0.215924220000
  0.077231205300
* g-type functions
    3    1
         20.12000000
          5.25000000
          1.33800000
  0.401619640000
  0.615998775000
  0.390462717000
********************************************************************************
* Core AIMP: ErQR5L ErQR5L-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  5.8603084000e5  1.3141118000e5  4.1995680000e4  1.4857094000e4  5.6734769000e3  2.2558555000e3  8.7879086000e2  3.8949581000e2  1.8687725000e2 64.729377000000 35.604901000000
 18.829848000000
  0.011241968500  0.009621912000  0.015552483750  0.024456670500  0.034565805000  0.041123757500  0.060180145000  0.106128720000  0.065087142500  0.161209157500  0.152954072500
  0.017878169250
M2
  0
COREREP
 1.0
PROJOP
    2
   15    3
  4.2591962000e3  7.2555805000e2  1.6699765000e2
     891400.00000000
     110870.00000000
      24410.00000000
       7104.00000000
       2465.00000000
        969.00000000
        417.50000000
        176.20000000
         83.25000000
         38.09000000
         20.86000000
         10.90000000
          5.56500000
          2.84500000
          1.29200000
  0.005060367100  0.001908646200  0.000896874490
  0.019353167000  0.007510786100  0.003538337200
  0.061735477000  0.024415912000  0.011563737000
  0.163455240000  0.068750109000  0.032809165000
  0.325703740000  0.151612910000  0.073886473000
  0.393053920000  0.232687990000  0.117960620000
  0.199025840000  0.089328158000  0.044199727000
  0.012457704000 -0.437147550000 -0.345836730000
 -0.013467069000 -0.589795720000 -0.636311370000
 -0.000772935870 -0.152476440000  0.089504220000
  0.007290041900  0.016565159000  0.856054740000
  0.003210704300 -0.004683049200  0.359851820000
 -0.002245471200  0.001521249000  0.022911840000
 -0.001710811300 -0.001920367000  0.001409569200
 -0.000163102740  0.000059996139 -0.000349416360
   12    2
  6.4272455000e2  1.4119950000e2
      10280.00000000
       2460.00000000
        837.90000000
        339.00000000
        152.10000000
         72.81000000
         35.69000000
         18.36000000
          9.32200000
          4.82300000
          2.45400000
          1.11700000
  0.006298226500  0.003207740000
  0.037271544000  0.019184617000
  0.135772000000  0.072763003000
  0.315967780000  0.178786580000
  0.415144570000  0.245112810000
  0.238365250000  0.008254983100
  0.036586429000 -0.471286740000
 -0.003054651500 -0.496555860000
 -0.000093461298 -0.131087690000
  0.001447941700 -0.004098301100
  0.000731509780 -0.000824232030
  0.000085613718  0.000242046150
   10    1
  3.2477000000e2
       1082.00000000
        336.40000000
        134.50000000
         60.58000000
         29.16000000
         14.58000000
          7.34700000
          3.66900000
          1.78000000
          0.76830000
  0.006833583700
  0.046118734000
  0.167010300000
  0.350987460000
  0.405781790000
  0.206138280000
  0.035025570000
  0.001464316700
 -0.000030841835
  0.000030028476
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ErQR(5L)-[Kr,4d]
End of Spectral Representation Operator

/Tm.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.41el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
THULIUM (14s,10p,10d,8f,3g) -> [3s,2p,2d,1f,1g]
********************************************************************************
*relativistic core=[M], [7s6p6d4f1g] recommended
*
* TmQR4K TmQR4K-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: TmQR4K-[M]
* mv+dw from TmQR(4K)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in TmQR4K TmQR4K-[M]
*            3.0*Bk(3d) rather than so-correct the basis set
********************************************************************************
    41.0   4
* s-type functions
   14    3
    2738770.93000000
     206251.33800000
      27582.37360000
       5021.87703000
       1196.90053000
        135.52149600
         76.67439490
         20.68016130
          4.31928401
          1.95653905
       8410.55234e-4
       3721.77962e-4
       7596.33663e-5
       2989.93358e-5
  0.000195947717 -0.000083087855 -0.000021613023
  0.001327932140 -0.000565908346 -0.000147197485
  0.007161671100 -0.003006054090 -0.000782035035
  0.033245772000 -0.014424812600 -0.003751463130
  0.077897512300 -0.031075574900 -0.008090751150
 -0.325945130000  0.133927813000  0.035039282700
 -0.185123753000  0.072293330100  0.018811911400
  1.191850570000 -0.554431979000 -0.147681411000
 -1.098681370000  0.924527285000  0.267101176000
 -0.253654602000  0.210574856000  0.067783069600
  0.002700930680 -0.874433457000 -0.344311022000
 -0.002395702210 -0.495533808000 -0.353053466000
  0.000362269124 -0.013080150100  0.663790750000
 -0.000150791740  0.003412936670  0.532947847000
* p-type functions
   10    2
       3319.29342000
        728.41288700
        219.36651900
         32.10265050
         13.17886690
          7.68227461
          3.48437293
          1.44642246
       6225.08278e-4
       2439.70373e-4
  0.009284428270 -0.003303755150
  0.060701346100 -0.021722961500
  0.165345152000 -0.058808324900
 -0.512343608000  0.197250593000
 -0.285697115000  0.097678834200
  0.643409120000 -0.315968594000
  0.588867091000 -0.345176692000
  0.089857235400  0.275070562000
 -0.004429401970  0.673710612000
  0.001362963550  0.265048198000
* d-type functions
   10    2
        904.39135500
        264.79890000
         98.53631590
         40.69964290
          8.41244989
          3.91632509
          1.77433372
       6709.49282e-4
       2344.32646e-4
       7471.31723e-5
 -0.005271244760  0.001089250760
 -0.039330821500  0.007837262150
 -0.142638258000  0.029820837000
 -0.234697829000  0.045041637100
  0.439556117000 -0.113647123000
  0.482456545000 -0.110170512000
  0.181899951000  0.054372076700
  0.014842692700  0.360761239000
 -0.000360723986  0.512071073000
  0.000196371639  0.329860323000
* f-type functions
    8    1
        211.28182900
         72.07710280
         29.63683440
         13.25387050
          6.03221042
          2.67848760
          1.11470781
       4075.24317e-4
  0.004056784700
  0.030290123300
  0.112420505000
  0.253598030000
  0.356413174000
  0.345341736000
  0.231680849000
  0.089196922000
* g-type functions
    3    1
         21.00000000
          5.47000000
          1.38600000
  0.404202534000
  0.616029807000
  0.389389139000
********************************************************************************
* Core AIMP: TmQR4K TmQR4K-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  6.0724084000e5  1.3579118000e5  4.3297680000e4  1.5300094000e4  5.8299769000e3  2.3057555000e3  8.9336086000e2  3.9577581000e2  1.8807726000e2 66.173377000000 36.468901000000
 19.298848000000
  0.010987953902  0.009433348049  0.015249672683  0.023966365610  0.033924034146  0.040471970732  0.059949256098  0.104693180488  0.061683919512  0.161325229268  0.145121212195
  0.016120689268
M2
  0
COREREP
 1.0
PROJOP
    2
   15    3
  4.4007354000e3  7.5266372000e2  1.7366549000e2
     895700.00000000
     111400.00000000
      24520.00000000
       7163.00000000
       2490.00000000
        978.50000000
        421.90000000
        179.10000000
         84.54000000
         38.02000000
         21.06000000
         11.02000000
          5.61400000
          2.86400000
          1.28200000
  0.005349112500  0.002027276000  0.000955344450
  0.020299422000  0.007919141800  0.003736915100
  0.064024674000  0.025473274000  0.012104986000
  0.167290640000  0.070842468000  0.033868024000
  0.330214970000  0.154914520000  0.075811372000
  0.391709520000  0.233617350000  0.118611980000
  0.191412480000  0.078248204000  0.038137241000
  0.010056130000 -0.451189780000 -0.361946060000
 -0.013548455000 -0.583764270000 -0.631900930000
 -0.000415081690 -0.143373030000  0.138465960000
  0.007705133100  0.020436140000  0.850745330000
  0.002927421300 -0.005854465300  0.333247950000
 -0.002409785900  0.001833725800  0.019237932000
 -0.001675218100 -0.002053982900  0.001243247300
 -0.000139406100  0.000100976930 -0.000326156050
   12    2
  6.6569372000e2  1.4671156000e2
      10441.00000000
       2493.00000000
        847.50000000
        342.80000000
        153.90000000
         73.66000000
         36.13000000
         18.59000000
          9.43000000
          4.86900000
          2.47300000
          1.11800000
  0.006543749200  0.003344773500
  0.038635665000  0.019963552000
  0.140003900000  0.075368114000
  0.321807810000  0.182978180000
  0.414768890000  0.244843760000
  0.230791420000 -0.006177357600
  0.032818959000 -0.486533230000
 -0.003030876500 -0.484465550000
 -0.000081562039 -0.120664800000
  0.001571008000 -0.003232207000
  0.000687271100 -0.000717427450
  0.000083382608  0.000218880020
   10    1
  3.3815000000e2
       1079.00000000
        335.40000000
        134.40000000
         60.70000000
         29.29000000
         14.64000000
          7.39000000
          3.70400000
          1.80300000
          0.77700000
  0.007400847400
  0.049344652000
  0.175163100000
  0.359082980000
  0.401850470000
  0.194167210000
  0.030565928000
  0.001377364300
 -0.000072083899
  0.000046321181
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
TmQR(4K)-[Kr,4d]
End of Spectral Representation Operator

/Yb.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.42el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
YTTERBIUM (14s,10p,10d,8f,3g) -> [3s,2p,2d,1f,1g]
********************************************************************************
*relativistic core=[M], [7s6p6d4f1g] recommended
*
* YbQR3H YbQR3H-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: YbQR3H-[M]
* mv+dw from YbQR(3H)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in YbQR3H YbQR3H-[M]
*            3.0*Bk(3d) rather than so-correct the basis set
********************************************************************************
    42.0   4
* s-type functions
   14    3
    2968509.61000000
     221395.33500000
      29257.86040000
       5243.14002000
       1242.78295000
        140.78320200
         79.59866730
         21.51015730
          4.49252667
          2.02891453
          0.86157332
       3811.72456e-4
       7818.66232e-5
       3064.70174e-5
  0.000196559918 -0.000082984514 -0.000021506714
  0.001326090730 -0.000563112351 -0.000145931203
  0.007146758040 -0.002982210890 -0.000772977682
  0.033566296900 -0.014573549800 -0.003776143730
  0.077316134000 -0.030494490000 -0.007910158600
 -0.325128413000  0.132814824000  0.034616299700
 -0.186878575000  0.072873296100  0.018894550200
  1.193061420000 -0.552549431000 -0.146608163000
 -1.099316780000  0.920013607000  0.264644327000
 -0.253483796000  0.205641088000  0.065648195200
  0.002925502130 -0.878114335000 -0.344888121000
 -0.002444317240 -0.485480155000 -0.347084837000
  0.000383477829 -0.012751800400  0.660974251000
 -0.000159063759  0.003280509950  0.535271954000
* p-type functions
   10    2
       3461.21225000
        757.35232000
        227.58058000
         33.33245770
         14.76495790
          7.39618413
          3.43346081
          1.38156389
       6003.12444e-4
          0.23740082
  0.009280923620 -0.003290600650
  0.060785111800 -0.021668750000
  0.166187553000 -0.058896976900
 -0.510946943000  0.196258835000
 -0.218987467000  0.070627836500
  0.631439958000 -0.322736543000
  0.549569033000 -0.307638743000
  0.073048714600  0.329720097000
 -0.005149382090  0.651615807000
  0.001402064060  0.232347303000
* d-type functions
   10    2
        943.38152100
        275.86957200
        102.55581000
         42.35132630
          8.76799643
          4.08833046
          1.85335174
       6933.02853e-4
          0.23900593
       7492.52569e-5
 -0.005224337120  0.001041793910
 -0.039148226500  0.007526294270
 -0.142786037000  0.028804867300
 -0.235717007000  0.043655202700
  0.438802082000 -0.109271121000
  0.481599359000 -0.106247949000
  0.183517211000  0.050865442500
  0.015127644800  0.351363440000
 -0.000458368993  0.512465110000
  0.000219788281  0.346612904000
* f-type functions
    8    1
        216.93554300
         74.05562530
         30.46866590
         13.63473620
          6.20378946
          2.75192771
          1.14321936
       4168.98991e-4
  0.004204429710
  0.031272201000
  0.115497053000
  0.257493485000
  0.357294167000
  0.342493812000
  0.228483280000
  0.088062446800
* g-type functions
    3    1
         22.00000000
          5.73000000
          1.44500000
  0.404728839000
  0.615938336000
  0.390012427000
********************************************************************************
* Core AIMP: YbQR3H YbQR3H-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  5.5788084000e5  1.2786118000e5  4.1451680000e4  1.4840094000e4  5.7106768000e3  2.2686555000e3  8.8315086000e2  3.9459581000e2  1.8483725000e2 67.093377000000 37.041901000000
 19.593848000000
  0.011338051429  0.009523100000  0.015321907857  0.023883380952  0.033411576190  0.039670178571  0.060587740476  0.103243504762  0.057078928571  0.163179302381  0.135558980952
  0.013870014286
M2
  0
COREREP
 1.0
PROJOP
    2
   15    3
  4.5451610000e3  7.8041413000e2  1.8048980000e2
     906400.00000000
     113140.00000000
      24920.00000000
       7249.00000000
       2515.00000000
        987.70000000
        425.40000000
        182.40000000
         86.19000000
         38.47000000
         21.27000000
         11.04000000
          5.72200000
          2.92400000
          1.30700000
  0.005620689300  0.002140756600  0.001011258000
  0.021005080000  0.008234794600  0.003893666700
  0.065927702000  0.026386671000  0.012573020000
  0.171643880000  0.073140442000  0.035044640000
  0.334938680000  0.158409240000  0.077787811000
  0.390363670000  0.234249650000  0.119209060000
  0.183927360000  0.067219264000  0.031745420000
  0.007294571000 -0.462623410000 -0.375150540000
 -0.013272610000 -0.576470040000 -0.626854190000
 -0.000388569660 -0.136129430000  0.180353040000
  0.008397768500  0.021889876000  0.851897280000
  0.002477029600 -0.006479788300  0.305163670000
 -0.002468800900  0.002090011000  0.013894684000
 -0.001700035300 -0.002165276800  0.001761201200
 -0.000125444500  0.000124789170 -0.000402550540
   12    2
  6.8910253000e2  1.5232814000e2
      10457.00000000
       2491.00000000
        846.70000000
        342.20000000
        153.60000000
         73.50000000
         36.34000000
         18.77000000
          9.51100000
          4.90800000
          2.49100000
          1.12000000
  0.006951896000  0.003562914300
  0.040780108000  0.021171755000
  0.146452980000  0.079184646000
  0.331320810000  0.189626060000
  0.413941560000  0.243164130000
  0.218161340000 -0.027909264000
  0.027455497000 -0.500745660000
 -0.002631987800 -0.468717710000
 -0.000212423620 -0.110554080000
  0.001761567000 -0.002179672800
  0.000612098060 -0.000717651980
  0.000088410483  0.000218013120
   10    1
  3.5175000000e2
       1079.00000000
        335.40000000
        134.40000000
         60.75000000
         29.40000000
         14.72000000
          7.44200000
          3.73400000
          1.81600000
          0.77750000
  0.007950611800
  0.052515028000
  0.183812160000
  0.367431700000
  0.396165260000
  0.182482170000
  0.026951141000
  0.001239159100
 -0.000078382927
  0.000052139818
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
YbQR(3H)-[Kr,4d]
End of Spectral Representation Operator

/Lu.CG-AIMP.Seijo.14s10p10d8f3g.3s2p2d1f1g.ECP.43el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
LUTETIUM (14s,10p,10d,8f,3g) -> [3s,2p,2d,1f,1g]
********************************************************************************
*relativistic core=[M], [7s6p6d4f1g] recommended
*
* LuQR2D LuQR2D-[M]BkSOC (14s10p10d8f)
*
* core-AIMP: LuQR2D-[M]
* mv+dw from LuQR(2D)-[Kr,4d]
* v.basis.s: (14s10p10d8f) /recommended[7s6p6d4f]
*            d,f exponents from core [Kr]
*            s,p exponents optimized in LuQR2D LuQR2D-[M]
*            3.0*Bk(3d) rather than so-correct the basis set
********************************************************************************
    43.0   4
* s-type functions
   14    3
    3203431.17000000
     236518.87900000
      30920.30510000
       5525.41456000
       1302.27240000
        144.66080300
         80.74411040
         22.38270930
          4.68977276
          2.14739349
       9029.07805e-4
       3980.13618e-4
       8114.48394e-5
       3169.48475e-5
  0.000199358797 -0.000084647897 -0.000021942248
  0.001340276390 -0.000571856772 -0.000148229566
  0.007190544380 -0.003021693840 -0.000783349157
  0.033333241200 -0.014486909700 -0.003754720680
  0.078136403300 -0.031118280500 -0.008072467180
 -0.336555233000  0.137919830000  0.035956888300
 -0.178167184000  0.068678516200  0.017784519600
  1.196558030000 -0.553401672000 -0.146788063000
 -1.091555610000  0.912459967000  0.261864714000
 -0.260040305000  0.211906376000  0.068315156100
  0.000641044641 -0.864038150000 -0.337774479000
 -0.001937071370 -0.498661558000 -0.354425169000
  0.000283834147 -0.013419877300  0.660115145000
 -0.000118504425  0.003442676340  0.536405507000
* p-type functions
   10    2
       3602.59256000
        786.52639900
        235.96328400
         34.46741060
         14.66039050
          7.88119831
          3.61867996
          1.46577451
       6336.17512e-4
          0.24908895
  0.009293037910 -0.003282223070
  0.060882421400 -0.021620572800
  0.166925002000 -0.058920459200
 -0.517168895000  0.197425365000
 -0.238561721000  0.077906339700
  0.640147302000 -0.319938331000
  0.561563435000 -0.316747589000
  0.077478779200  0.310825167000
 -0.005004978480  0.657661105000
  0.001402804590  0.244676564000
* d-type functions
   10    2
        980.13511300
        286.49983200
        106.52616200
         44.02712500
          9.11403960
          4.23817473
          1.90873860
       6902.74816e-4
       2314.76661e-4
       7068.60008e-5
 -0.005209629380  0.000968033571
 -0.039085457300  0.006994922430
 -0.142911413000  0.026866997900
 -0.236428477000  0.040741532400
  0.440390331000 -0.101479968000
  0.482443777000 -0.099891360400
  0.182332443000  0.050494024900
  0.014186525700  0.342534498000
 -0.000623457049  0.511264067000
  0.000219482653  0.367456796000
* f-type functions
    8    1
        226.96369700
         77.48624590
         31.90399690
         14.28171460
          6.49645053
          2.87797100
          1.19299291
       4337.07639e-4
  0.004165659440
  0.031145424400
  0.115508618000
  0.257851039000
  0.357471673000
  0.342249286000
  0.228663588000
  0.088760869600
* g-type functions
    3    1
         22.87000000
          5.95000000
          1.49700000
  0.407947825000
  0.615755802000
  0.387663253000
********************************************************************************
* Core AIMP: LuQR2D LuQR2D-[M]BkSOC (14s10p10d8f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  5.7430084000e5  1.3031118000e5  4.1923680000e4  1.4919094000e4  5.7107769000e3  2.2560555000e3  8.7989086000e2  3.9592581000e2  1.8221725000e2 68.146377000000 37.680901000000
 19.922848000000
  0.011147607674  0.009458946512  0.015257449767  0.023800100000  0.033140911628  0.039156339535  0.060915862791  0.101514718605  0.053645486047  0.164181055814  0.126884623256
  0.012059687674
M2
  0
COREREP
 1.0
PROJOP
    2
   15    3
  4.6925203000e3  8.0882520000e2  1.8747653000e2
     905800.00000000
     112930.00000000
      24850.00000000
       7227.00000000
       2507.00000000
        983.10000000
        421.10000000
        184.00000000
         87.06000000
         38.77000000
         21.31000000
         10.97000000
          5.75000000
          2.93700000
          1.29400000
  0.005968632300  0.002285638500  0.001082390800
  0.022132528000  0.008717649700  0.004129381200
  0.068923799000  0.027780260000  0.013275951000
  0.177773220000  0.076256434000  0.036613448000
  0.341972140000  0.163551850000  0.080641552000
  0.388908510000  0.235042830000  0.119879880000
  0.172269540000  0.050431535000  0.021925996000
  0.002551667800 -0.480060950000 -0.394757280000
 -0.012263862000 -0.563785170000 -0.617296890000
 -0.000575959950 -0.124150500000  0.237626710000
  0.009386547700  0.020968820000  0.846014160000
  0.001684328100 -0.006010828900  0.272455240000
 -0.002423337700  0.001751052400  0.008727171000
 -0.001721599200 -0.002038692300  0.002007246400
 -0.000090406728  0.000114019110 -0.000432704050
   12    2
  7.1295695000e2  1.5805266000e2
      10544.00000000
       2506.00000000
        850.90000000
        344.40000000
        154.90000000
         74.16000000
         36.74000000
         18.98000000
          9.62000000
          4.96100000
          2.51600000
          1.12400000
  0.007292542500  0.003749211100
  0.042657333000  0.022237124000
  0.151766820000  0.082418828000
  0.337448710000  0.194137560000
  0.412063760000  0.241276990000
  0.209754680000 -0.044238337000
  0.023982329000 -0.514010680000
 -0.002531370300 -0.455026940000
 -0.000185271670 -0.101160040000
  0.001864463300 -0.001759627500
  0.000573857690 -0.000578113880
  0.000087368463  0.000186582650
   10    1
  3.6558000000e2
       1080.00000000
        335.40000000
        134.50000000
         60.82000000
         29.45000000
         14.72000000
          7.43500000
          3.73900000
          1.83000000
          0.78860000
  0.008528807700
  0.055794033000
  0.192289000000
  0.376014200000
  0.391076910000
  0.170345400000
  0.023007279000
  0.001127887300
 -0.000101596250
  0.000061458290
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
LuQR(2D)-[Kr,4d]
End of Spectral Representation Operator

********************************************************************************
*         C.1.3.2.a. Actinide Elements (core [Xe,4f,5d])
********************************************************************************

/Th.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.12el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
THORIUM (14s,10p,11d,9f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f,5d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on ThQR(5I)
********************************************************************************
    12.0   4
* s-type functions
   14    2
   17395501.40000000
    1089581.36000000
     114047.07400000
      16817.64780000
       3106.59748000
        243.21123000
         43.04516880
          9.94819231
          2.40901772
          1.54417764
       5096.12052e-4
       2397.72933e-4
       6272.79947e-5
       2631.61246e-5
  0.000055925013  0.000017413348
  0.000348517059  0.000108517755
  0.001730729860  0.000538895118
  0.007599840780  0.002366405100
  0.021813572600  0.006792259860
 -0.112810002000 -0.035173599500
  0.349542126000  0.109838913000
 -0.775543186000 -0.250849726000
  1.031074090000  0.372441290000
  0.306553995000  0.111498862000
 -0.952473843000 -0.512979172000
 -0.456616366000 -0.372761885000
 -0.012070872000  0.728968456000
  0.004297199010  0.530084668000
* p-type functions
   10    1
       7340.28679000
       1530.63547000
        444.29388400
         62.02119180
         12.02549590
          2.77509096
          1.69626209
       5458.56981e-4
       2605.06112e-4
       1106.37623e-4
  0.000766539762
  0.012796716265
  0.036700355876
 -0.133747706031
  0.322877474543
 -0.454686946556
 -0.222863064921
  0.569909831895
  0.514337757039
  0.109127260637
* d-type functions
   11    1
        935.47158900
        269.42262700
         98.00261030
         17.60949100
          7.01264530
          4.66014162
          1.94279636
       4240.24659e-4
       1989.68456e-4
       8805.14218e-5
       3617.75994e-5
 -0.002298032456
 -0.013099850852
 -0.030670224351
  0.078470499812
  0.088029971553
 -0.131218731196
 -0.193930386956
  0.245738170060
  0.397738290984
  0.398223248054
  0.165000134691
* f-type functions
    9    1
        258.56462200
         87.39797460
         35.40105140
         15.16264560
          3.02122298
          1.33295796
       5599.87626e-4
       2150.52341e-4
       7332.51685e-5
 -0.004164735870
 -0.027459899756
 -0.078409154973
 -0.102165924861
  0.206429597612
  0.359511735675
  0.373850824615
  0.294657081945
  0.154613646579
* g-type functions
    3    1
          2.28200000
          0.63400000
          0.15680000
  0.509850012000
  0.561288429000
  0.334071114000
********************************************************************************
* Core AIMP: ThQR(5I)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.1974178000e5  1.5358739000e5  5.2944178000e4  1.9768419000e4  7.7667744000e3  3.0883381000e3  1.2618533000e3  5.8561342000e2  2.1914069000e2  1.1050496000e2 23.204464000000
 14.976124000000  4.423543300000  2.437151800000  1.233694400000
  0.065168170000  0.050405989167  0.078307791667  0.116993841667  0.156777458333  0.201963066667  0.350764041667  0.451790275000  0.377205250000  1.131327833333  1.461734916667
  0.644371858333  0.827817791667  0.527210091667  0.058161670000
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  8.1513060000e3  1.5247005000e3  3.8773612000e2  1.0042902000e2 22.814994000000
    9867413.30000000
    1023261.90000000
     187427.76000000
      46335.93500000
      13957.00200000
       4843.39400000
       1869.83670000
        788.44165000
        334.30761000
        155.44005000
         64.92506700
         34.58926300
         15.52442000
          8.50063960
          3.91447330
          2.17501950
          1.06500000
  0.003645194300  0.001520224000  0.000737816040  0.000380924500  0.000185825950
  0.011546807000  0.004867644700  0.002382245500  0.001227762900  0.000597616340
  0.031681346000  0.013782932000  0.006720632600  0.003479121400  0.001699580900
  0.079937147000  0.035582689000  0.017616960000  0.009094335500  0.004426110100
  0.179556230000  0.084755116000  0.041848137000  0.021758561000  0.010647095000
  0.327166570000  0.165610640000  0.084318979000  0.043763562000  0.021313967000
  0.382863400000  0.225309670000  0.115310080000  0.060824089000  0.029942468000
  0.190518690000  0.025978413000  0.002836995800 -0.001391983800 -0.001320750600
  0.000319572890 -0.497480810000 -0.440000990000 -0.261576070000 -0.131900410000
 -0.023774599000 -0.551366720000 -0.585065580000 -0.384710650000 -0.201742990000
  0.006428751200 -0.100207430000  0.470000020000  0.517584420000  0.310878120000
  0.017314803000  0.030897550000  0.795470860000  1.032510800000  0.647718820000
 -0.002655888900 -0.011203758000  0.140254090000 -0.473707850000 -0.451562790000
 -0.009047175700  0.000443758520 -0.022565867000 -0.963754110000 -1.252439100000
 -0.000001397484 -0.003186418500  0.007286545900 -0.137829010000  0.295305250000
  0.003050112200  0.003507428700 -0.002101007300  0.010556303000  1.066322600000
  0.000599828720  0.000045530508  0.000924339790 -0.001376804200  0.218906040000
   14    4
  1.2834638000e3  3.1930550000e2 77.634483000000 15.648766000000
      27220.00000000
       6149.00000000
       2008.00000000
        788.10000000
        346.10000000
        163.70000000
         78.91000000
         40.46000000
         20.54000000
         10.80900000
          5.67900000
          2.98400000
          1.53200000
          0.71400000
  0.005420158600  0.002936145000  0.001524704000  0.000712238080
  0.030236180000  0.016473503000  0.008604931100  0.004069376500
  0.111320630000  0.062815705000  0.032984099000  0.015481483000
  0.277351880000  0.162850550000  0.086765939000  0.041228318000
  0.414528070000  0.255142630000  0.136866820000  0.064412435000
  0.293574710000  0.075396654000  0.020098137000  0.007802559500
  0.059901820000 -0.431616360000 -0.364761240000 -0.195284770000
 -0.009239179200 -0.537651020000 -0.446369250000 -0.229428930000
  0.001343064600 -0.159381790000  0.264009450000  0.213636120000
  0.004042242000 -0.000408702160  0.696837610000  0.606679110000
  0.002049490000 -0.001154563500  0.274331480000  0.071811334000
 -0.001746514900 -0.000022983782  0.019302759000 -0.688668850000
 -0.001040876100 -0.001256641100  0.000782051730 -0.487317060000
 -0.000175736390 -0.000046092259 -0.000371109820 -0.063277383000
   11    3
  2.5429270000e2 52.736699000000  7.300276100000
       1874.00000000
        572.80000000
        226.20000000
        100.30000000
         47.55000000
         22.80000000
         11.17000000
          5.50500000
          2.65900000
          1.25200000
          0.53800000
  0.009311498400  0.005163126400  0.002184968200
  0.060753647000  0.034578211000  0.015006101000
  0.213727680000  0.123273410000  0.052952113000
  0.414071860000  0.237406670000  0.103272980000
  0.383431990000  0.126916400000  0.040927934000
  0.124565360000 -0.333171410000 -0.193650830000
  0.004691986300 -0.549652300000 -0.310151380000
  0.000895246070 -0.239516220000  0.079558577000
 -0.000065931272 -0.022265784000  0.556151990000
  0.000769001180  0.000025112792  0.434004050000
  0.000031893081  0.000248306080  0.087710886000
    6    1
 26.352468000000
        207.70000000
         71.89000000
         30.24000000
         13.61000000
          6.23000000
          2.70600000
  0.028065035000
  0.144866030000
  0.345646210000
  0.435057000000
  0.276459890000
  0.061991674000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ThQR(5I)-[Xe,4f,5d]
End of Spectral Representation Operator

/Pa.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.13el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
PROTACTINIUM (14s,10p,11d,9f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f,5d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on PaQR(6L)
********************************************************************************
    13.0   4
* s-type functions
   14    2
   19024992.90000000
    1184505.76000000
     122713.47800000
      17876.34380000
       3241.59613000
        250.79176300
         44.48250690
         10.33641410
          2.51813521
          1.54219450
       5310.90935e-4
       2439.81084e-4
        551.57319e-4
       2313.57092e-5
  0.000056105015  0.000016063139
  0.000348279113  0.000099714039
  0.001721813810  0.000492962226
  0.007555362790  0.002163139860
  0.021956705200  0.006285972380
 -0.112597958000 -0.032272381400
  0.350436822000  0.101196642000
 -0.778986797000 -0.231239915000
  1.066175820000  0.351827477000
  0.262479807000  0.084706359400
 -0.935827517000 -0.441991103000
 -0.466523681000 -0.346952091000
 -0.012806535200  0.701918699000
  0.002712847960  0.515397114000
* p-type functions
   10    1
       7591.01844000
       1579.34230000
        457.69963300
         63.83845970
         12.46030600
          2.91092835
          1.84597056
       5463.81969e-4
       2533.61811e-4
       1069.21195e-4
  0.000715885293
  0.012775017113
  0.036648684856
 -0.133544584910
  0.321913733681
 -0.440480953755
 -0.215441517405
  0.583495991145
  0.498679664995
  0.099515547992
* d-type functions
   11    1
        964.77843600
        277.67658800
        100.99128000
         18.19769140
          7.55620311
          4.63952504
          2.02930030
       4505.33469e-4
       2039.70922e-4
       8634.74959e-5
       3445.93806e-5
 -0.002779863495
 -0.012499113804
 -0.029358447590
  0.074939334612
  0.069610299892
 -0.114908272326
 -0.178257708618
  0.233725225654
  0.395520634654
  0.410524594022
  0.183806479980
* f-type functions
    9    1
        267.87777200
         90.62024670
         36.80945870
         15.85230300
          3.21814956
          1.43418861
          0.60723578
       2329.66584e-4
       7715.38392e-5
 -0.004571636900
 -0.029094096101
 -0.083078674290
 -0.108130861406
  0.216628948326
  0.371166058807
  0.373058396209
  0.277004660846
  0.143248972045
* g-type functions
    3    1
          2.46100000
          0.69500000
          0.17000000
  0.525977024000
  0.558331036000
  0.312100133000
********************************************************************************
* Core AIMP: PaQR(6L)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.4518177700e5  1.5986639100e5  5.5088177900e4  2.0562219200e4  8.0743544300e3  3.2090380800e3  1.3097513000e3  6.0689641900e2  2.2783868900e2  1.1426595600e2 23.899964300000
 15.520023600000  4.579103260000  2.512681850000  1.255435390000
  0.060000807000  0.046405729769  0.072067964846  0.107613640769  0.144375437692  0.186100997692  0.322536044615  0.418452516154  0.344947871538  1.049832784615  1.374258684615
  0.569231199231  0.783947161538  0.471521979231  0.048707182769
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  8.3722087000e3  1.5721793000e3  4.0109115000e2  1.0442115000e2 23.711377000000
   10017413.00000000
    1032261.90000000
     188127.76000000
      46375.93500000
      13947.00200000
       4836.39400000
       1866.83670000
        786.24165000
        339.10761000
        158.64005000
         67.13506800
         35.73926300
         16.19442000
          8.87563960
          4.12747330
          2.27901950
          1.10600000
  0.003853659500  0.001614935000  0.000784919160  0.000406168540  0.000199496310
  0.012148553000  0.005152755500  0.002524040900  0.001304403400  0.000639291480
  0.033144818000  0.014491479000  0.007078610500  0.003672381200  0.001806305100
  0.082988844000  0.037213867000  0.018442600000  0.009548214800  0.004678962400
  0.184811230000  0.087738176000  0.043411094000  0.022620068000  0.011145514000
  0.332270050000  0.169633290000  0.086475778000  0.045022224000  0.022076515000
  0.380749320000  0.223489450000  0.114437460000  0.060464056000  0.029981269000
  0.181295730000  0.011809086000 -0.006770922300 -0.006760138200 -0.004064368800
 -0.003325004400 -0.503536490000 -0.447651800000 -0.267416020000 -0.135827230000
 -0.023202571000 -0.540318490000 -0.574354590000 -0.378982140000 -0.200447380000
  0.006275183900 -0.096859972000  0.473525450000  0.521598320000  0.316087690000
  0.018196946000  0.029624260000  0.792974250000  1.035358400000  0.655251040000
 -0.002903465500 -0.010421234000  0.141380810000 -0.462428220000 -0.445105070000
 -0.009288753400 -0.000383634730 -0.021849011000 -0.973037240000 -1.278607300000
 -0.000119341490 -0.002875523000  0.006879654000 -0.141899620000  0.296419550000
  0.003243941400  0.003402334700 -0.001761752900  0.009859620800  1.077563600000
  0.000602550320  0.000101234890  0.000868478840 -0.001298721700  0.215637260000
   14    4
  1.3189591000e3  3.2949948000e2 80.590495000000 16.183663000000
      27530.00000000
       6219.00000000
       2029.00000000
        795.20000000
        348.80000000
        164.90000000
         79.63000000
         40.82000000
         20.65000000
         10.87600000
          5.69200000
          3.01300000
          1.54300000
          0.70600000
  0.005618521800  0.003050885800  0.001588686300  0.000748591030
  0.031131828000  0.017008638000  0.008919649400  0.004248210600
  0.114124400000  0.064580905000  0.034016300000  0.016100854000
  0.282513480000  0.166388020000  0.089017466000  0.042606924000
  0.416502490000  0.256281510000  0.137715050000  0.065358360000
  0.287200600000  0.064433326000  0.012786853000  0.003989614800
  0.055341501000 -0.445226450000 -0.378895090000 -0.204484570000
 -0.009232804200 -0.530405810000 -0.435959810000 -0.225393900000
  0.001454653000 -0.149891020000  0.295331450000  0.240244550000
  0.004395616800  0.001315455600  0.696400170000  0.616623130000
  0.001782099400 -0.001386023900  0.253289340000  0.024223836000
 -0.001831697800 -0.000060226157  0.014850584000 -0.709523530000
 -0.001030019000 -0.001253954100  0.000941381760 -0.456924580000
 -0.000152261100 -0.000028850940 -0.000369901370 -0.053557189000
   11    3
  2.6248544000e2 54.906102000000  7.521233600000
       1869.00000000
        571.30000000
        225.60000000
        100.00000000
         47.41000000
         22.67000000
         11.12000000
          5.47400000
          2.66300000
          1.25100000
          0.52860000
  0.009889599800  0.005503370800  0.002360310300
  0.063915405000  0.036641010000  0.016038199000
  0.222076170000  0.128688180000  0.055937439000
  0.420870120000  0.242175770000  0.106161170000
  0.375333560000  0.112360510000  0.033776901000
  0.115130340000 -0.358043400000 -0.210911380000
  0.002966889700 -0.545521520000 -0.307430260000
  0.001026075200 -0.218613740000  0.117444430000
 -0.000057681178 -0.017256341000  0.569240850000
  0.000763559970 -0.000229032070  0.408317160000
  0.000019740353  0.000268311070  0.076596109000
    6    1
 27.859187000000
        217.30000000
         75.28000000
         31.71000000
         14.30000000
          6.56400000
          2.85700000
  0.027344398000
  0.142439610000
  0.343474710000
  0.436517410000
  0.278033510000
  0.061587542000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PaQR(6L)-[Xe,4f,5d]
End of Spectral Representation Operator

/U.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.14el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
URANIUM (14s,10p,11d,9f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f,5d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on UQR(5K)
********************************************************************************
    14.0   4
* s-type functions
   14    2
   20939315.10000000
    1294673.90000000
     132564.63600000
      19043.07870000
       3383.97139000
        258.54406500
         45.96595890
         10.72203870
          2.67387564
          1.73770602
       5663.12064e-4
       2690.93999e-4
       6650.71452e-5
        265.60343e-4
  0.000057579287  0.000017109015
  0.000356354596  0.000105886711
  0.001755890260  0.000521740849
  0.007709887680  0.002290928240
  0.022709527700  0.006747781910
 -0.115450218000 -0.034351461800
  0.360979032000  0.108279892000
 -0.807159548000 -0.249320513000
  1.050834150000  0.361240285000
  0.313645424000  0.109584081000
 -0.953725150000 -0.486260250000
 -0.456510878000 -0.352203595000
 -0.012755980000  0.695002143000
  0.002578483710  0.544810358000
* p-type functions
   10    1
       7869.84667000
       1631.96492000
        471.65814600
         65.73569380
         12.87210610
          3.22923038
          2.20120798
       5631.86106e-4
       2589.40795e-4
       1048.54144e-4
  0.000692975134
  0.013299895212
  0.038229286702
 -0.139105990342
  0.337313065968
 -0.342023497038
 -0.329755416364
  0.637287282510
  0.467719632745
  0.070907260866
* d-type functions
   11    1
        992.50037000
        285.33504200
        103.77562500
         18.95870220
          8.35136279
          4.74092855
          2.16403537
       4734.67342e-4
       2159.22757e-4
       9521.28321e-5
       3980.57629e-5
 -0.002730803651
 -0.014990873978
 -0.035180122253
  0.087696194528
  0.072792753524
 -0.123642742030
 -0.210071493815
  0.299638994140
  0.440701698641
  0.345711616690
  0.112318158472
* f-type functions
    9    1
        281.71407400
         95.19198950
         38.57643990
         16.59474280
          3.50999234
          1.66931381
          0.77505487
       3365.30467e-4
       1286.12045e-4
 -0.004927495204
 -0.032809811931
 -0.095459617498
 -0.124909331511
  0.228296261183
  0.373929481322
  0.365696468364
  0.240004512190
  0.084021778865
* g-type functions
    3    1
          2.94000000
          0.97000000
          0.29000000
  0.505666652000
  0.548559007000
  0.265006284000
********************************************************************************
* Core AIMP: UQR(5K)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.7147778000e5  1.6639039000e5  5.7344078000e4  2.1400219000e4  8.3998544000e3  3.3382481000e3  1.3611993000e3  6.2961642000e2  2.3732169000e2  1.1819506000e2 24.626764000000
 16.161224000000  4.760033300000  2.639841800000  1.344965400000
  0.055582280000  0.042961966429  0.066681752143  0.099548735714  0.133671414286  0.172342478571  0.298032735714  0.390079442857  0.316800157143  0.980881785714  1.295515500000
  0.506982678571  0.738513857143  0.429894842857  0.043938915714
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  8.5982468000e3  1.6214568000e3  4.1543153000e2  1.0916123000e2 25.278806000000
   10227413.00000000
    1048261.90000000
     190527.76000000
      46825.93500000
      14047.00200000
       4862.39400000
       1873.83670000
        785.94165000
        342.80761000
        161.14005000
         68.91506800
         36.58926300
         16.62442000
          9.12563960
          4.24147330
          2.35901950
          1.15400000
  0.004060309600  0.001710120400  0.000832275140  0.000431776090  0.000213577540
  0.012704755000  0.005419872400  0.002657579000  0.001376646700  0.000680042230
  0.034415457000  0.015125581000  0.007399427700  0.003849195200  0.001906125200
  0.085590601000  0.038637655000  0.019169874000  0.009947530500  0.004914607900
  0.189186820000  0.090335778000  0.044772627000  0.023396728000  0.011604042000
  0.336457220000  0.172973900000  0.088294541000  0.046068545000  0.022783024000
  0.379354660000  0.221970560000  0.113629910000  0.060224401000  0.030029792000
  0.173776840000 -0.002300471500 -0.016497706000 -0.012451654000 -0.006878979200
 -0.007013483800 -0.512236020000 -0.458501910000 -0.274920860000 -0.141036730000
 -0.022562110000 -0.527468320000 -0.560588510000 -0.372075280000 -0.198139930000
  0.006483211900 -0.091427328000  0.490157870000  0.542437360000  0.330693760000
  0.018925440000  0.028127979000  0.784183680000  1.027443500000  0.658923530000
 -0.003539934800 -0.009807473300  0.136746180000 -0.485964450000 -0.478064300000
 -0.009368063600 -0.001115367100 -0.021301141000 -0.962656950000 -1.282381300000
 -0.000051722930 -0.002509405800  0.006664836200 -0.136740260000  0.341135550000
  0.003376798000  0.003346782300 -0.001634987300  0.010149549000  1.063104800000
  0.000584884400  0.000122392440  0.000852868730 -0.001287857200  0.205727850000
   14    4
  1.3556493000e3  3.4052315000e2 84.243073000000 17.357942000000
      29900.00000000
       6708.00000000
       2180.00000000
        852.80000000
        373.60000000
        176.40000000
         85.16000000
         43.74000000
         22.32000000
         11.79300000
          6.23800000
          3.29600000
          1.69700000
          0.79400000
  0.005300549900  0.002883221900  0.001507854500  0.000716524190
  0.029401962000  0.016094734000  0.008460455800  0.004067903400
  0.108316060000  0.061317902000  0.032416035000  0.015475282000
  0.271797560000  0.159984080000  0.085740822000  0.041421424000
  0.413059040000  0.254629150000  0.137524990000  0.065848409000
  0.300815010000  0.086039154000  0.026830506000  0.011203187000
  0.064422132000 -0.417049510000 -0.355206790000 -0.193811800000
 -0.009584347000 -0.544374960000 -0.459347990000 -0.241619700000
  0.001105746700 -0.170032290000  0.237164870000  0.200812500000
  0.004392488200 -0.001468033900  0.701823340000  0.625567710000
  0.002302771100 -0.000960204940  0.289449820000  0.094112445000
 -0.001873623600 -0.000117049390  0.021979209000 -0.695426290000
 -0.001145473000 -0.001340346100  0.000696400950 -0.494368390000
 -0.000193595470 -0.000061558096 -0.000349524620 -0.065596069000
   11    3
  2.7144406000e2 57.749922000000  8.333109300000
       1863.00000000
        568.80000000
        224.50000000
         99.50000000
         47.19000000
         22.53000000
         11.05000000
          5.41200000
          2.66100000
          1.26500000
          0.54820000
  0.010514627000  0.005876841700  0.002568608400
  0.067457344000  0.038928705000  0.017258166000
  0.231145730000  0.134614850000  0.059520675000
  0.427491280000  0.246544650000  0.109312740000
  0.365964610000  0.096270624000  0.025930714000
  0.105678450000 -0.383243060000 -0.230345350000
  0.001606367300 -0.540231510000 -0.303228710000
  0.001095562700 -0.197420500000  0.160610600000
 -0.000025615921 -0.012193954000  0.577724400000
  0.000757241600 -0.000588634260  0.377544330000
  0.000005932262  0.000349589680  0.065023930000
    6    1
 30.030355000000
        226.70000000
         78.62000000
         33.17000000
         15.00000000
          6.91200000
          3.02300000
  0.026753150000
  0.140410060000
  0.341432410000
  0.437106540000
  0.279505740000
  0.061653028000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
UQR(5K)-[Xe,4f,5d]
End of Spectral Representation Operator

/Np.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.15el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
NEPTUNIUM (14s,10p,11d,9f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f,5d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on NpQR(6L)
********************************************************************************
    15.0   4
* s-type functions
   14    2
   22892794.40000000
    1407683.52000000
     142738.13700000
      20254.35420000
       3528.56104000
        266.53470100
         47.47959480
         11.12518380
          2.79576142
          1.76488880
       5989.72065e-4
       2832.45567e-4
       6811.81554e-5
       2710.22585e-5
  0.000058255613  0.000017013363
  0.000359150667  0.000104888807
  0.001761539430  0.000514450466
  0.007729270860  0.002257304850
  0.023060390500  0.006734253230
 -0.116184142000 -0.033972819400
  0.365011124000  0.107614498000
 -0.818921073000 -0.248679191000
  1.086753470000  0.367027968000
  0.291679278000  0.099980391900
 -0.949247797000 -0.470001400000
 -0.466786250000 -0.354826160000
 -0.012971638000  0.688730697000
  0.002722747390  0.545031621000
* p-type functions
   10    1
       8121.01169000
       1680.75338000
        485.27800400
         67.66906000
         13.30202560
          3.51938703
          2.41622588
       5862.46957e-4
       2696.20806e-4
          0.10974532
  0.000655723369
  0.013512678160
  0.038781500122
 -0.141032154208
  0.342903778875
 -0.275884161782
 -0.396250451752
  0.636683433329
  0.464425155415
  0.072110316187
* d-type functions
   11    1
       1018.96307000
        292.97938700
        106.64625500
         19.68366880
          9.10863708
          4.80680739
          2.27921936
       4977.24889e-4
       2241.23732e-4
       9808.21864e-5
       4094.17761e-5
 -0.002882637606
 -0.015378472869
 -0.036051786335
  0.088234644063
  0.067250911517
 -0.118930472963
 -0.210024751523
  0.309727245281
  0.446423537995
  0.337866313094
  0.105278571968
* f-type functions
    9    1
        292.77256000
         99.01686020
         40.20015640
         17.35033360
          3.72000074
          1.79293394
       8460.87618e-4
       3728.38672e-4
       1442.31715e-4
 -0.005055161878
 -0.033884315028
 -0.099129010047
 -0.130279850408
  0.234693874456
  0.375186438445
  0.360039668734
  0.232448254263
  0.078926488879
* g-type functions
    3    1
          3.11400000
          1.03700000
          0.31660000
  0.520328179000
  0.541046199000
  0.247958041000
********************************************************************************
* Core AIMP: NpQR(6L)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.9594177700e5  1.7187239100e5  5.9151177900e4  2.2115919200e4  8.7032444300e3  3.4610880800e3  1.4107853000e3  6.5183441900e2  2.4659468900e2  1.2214325600e2 25.356364300000
 16.749123600000  4.929163260000  2.734951850000  1.394088390000
  0.051899246533  0.040225249867  0.062277944667  0.092478298667  0.124266673333  0.160541676667  0.277182776667  0.364880471333  0.293015472667  0.919983346667  1.229894400000
  0.451495790667  0.703550493333  0.390368092000  0.037940067400
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  8.8286069000e3  1.6715921000e3  4.2973920000e2  1.1362166000e2 26.480928000000
   10427413.00000000
    1066261.90000000
     193227.76000000
      47285.93500000
      14147.00200000
       4888.39400000
       1880.83670000
        783.74165000
        346.80761000
        163.94005000
         70.67506700
         37.52926300
         17.16442000
          9.43863960
          4.41147330
          2.45001950
          1.19800000
  0.004277451200  0.001810647600  0.000882245830  0.000458736380  0.000228318190
  0.013261585000  0.005690880300  0.002793552400  0.001450662400  0.000721299270
  0.035731234000  0.015783586000  0.007731285300  0.004030788000  0.002008159100
  0.088285030000  0.040129576000  0.019935731000  0.010371534000  0.005158325000
  0.193624240000  0.092964025000  0.046140354000  0.024166028000  0.012057444000
  0.340462280000  0.176308290000  0.090137851000  0.047154886000  0.023479935000
  0.377941000000  0.219904950000  0.112409010000  0.059679753000  0.029922429000
  0.166520060000 -0.016700582000 -0.026485752000 -0.018214666000 -0.009832500400
 -0.011100523000 -0.518852350000 -0.467747040000 -0.281728940000 -0.145668010000
 -0.021611416000 -0.515358120000 -0.546346630000 -0.364017500000 -0.195144970000
  0.006417491100 -0.087189063000  0.504005160000  0.559886380000  0.343774310000
  0.019831060000  0.027445476000  0.774696510000  1.019545300000  0.660548460000
 -0.004173047600 -0.009541326800  0.134097110000 -0.496106080000 -0.495049940000
 -0.009419089000 -0.001624509800 -0.020747216000 -0.959256600000 -1.293401700000
 -0.000106433530 -0.002291390500  0.006405634200 -0.135592310000  0.366463720000
  0.003557758400  0.003329695500 -0.001422244500  0.009780731400  1.059543400000
  0.000569997860  0.000144148740  0.000822409670 -0.001230716300  0.198805710000
   14    4
  1.3925649000e3  3.5135275000e2 87.566204000000 18.161780000000
      31280.00000000
       7021.00000000
       2281.00000000
        890.60000000
        389.50000000
        183.80000000
         88.61000000
         45.51000000
         23.25000000
         12.29800000
          6.52000000
          3.44600000
          1.77400000
          0.82810000
  0.005244216300  0.002859115400  0.001500477800  0.000718263760
  0.028828677000  0.015813643000  0.008337336500  0.004039029100
  0.106175120000  0.060203984000  0.031931432000  0.015355950000
  0.268204600000  0.157985460000  0.084895066000  0.041319589000
  0.411781790000  0.254159250000  0.137746710000  0.066447270000
  0.305582630000  0.092783333000  0.031170033000  0.013466912000
  0.067898401000 -0.408509400000 -0.349381730000 -0.192325340000
 -0.010074879000 -0.548783950000 -0.466592230000 -0.247903960000
  0.001187310000 -0.175808050000  0.223843640000  0.193891570000
  0.004426338800 -0.001957548400  0.704696760000  0.635192140000
  0.002518911300 -0.000877968630  0.296267380000  0.102338450000
 -0.001994017900 -0.000167647280  0.023084489000 -0.700718790000
 -0.001173524900 -0.001379756800  0.000631999450 -0.495484140000
 -0.000203016010 -0.000066187224 -0.000335520080 -0.065080681000
   11    3
  2.8014891000e2 60.244221000000  8.794661200000
       1849.00000000
        564.30000000
        222.80000000
         98.90000000
         47.03000000
         22.51000000
         11.09000000
          5.44600000
          2.70300000
          1.29400000
          0.56220000
  0.011255867000  0.006322336000  0.002802659700
  0.071535568000  0.041535364000  0.018586599000
  0.240778590000  0.140947200000  0.063120844000
  0.432668020000  0.249762910000  0.111579630000
  0.355153320000  0.079764936000  0.017525848000
  0.097401047000 -0.402323750000 -0.245567820000
  0.000802027080 -0.531328220000 -0.296553470000
  0.001080928200 -0.182779770000  0.190153500000
  0.000036141001 -0.009893846900  0.578210260000
  0.000735578910 -0.000673382530  0.359743470000
  0.000006931288  0.000346030050  0.059810447000
    6    1
 31.847675000000
        235.50000000
         81.71000000
         34.51000000
         15.64000000
          7.23200000
          3.17500000
  0.026392679000
  0.139373500000
  0.340785460000
  0.437783750000
  0.279282600000
  0.060890839000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NpQR(6L)-[Xe,4f,5d]
End of Spectral Representation Operator

/Pu.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.16el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
PLUTONIUM (14s,10p,11d,9f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f,5d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on PuQR(7K)
********************************************************************************
    16.0   4
* s-type functions
   14    2
   25132969.80000000
    1536155.78000000
     154095.09400000
      21572.49420000
       3678.66053000
        274.62826000
         49.02732400
         11.53639380
          2.93097619
          1.83586476
       6282.35769e-4
       2958.07666e-4
       6987.45811e-5
       2769.44635e-5
  0.000058562489  0.000016851081
  0.000359861885  0.000103548505
  0.001758292980  0.000505939353
  0.007717973040  0.002220777580
  0.023349683000  0.006717939200
 -0.116579753000 -0.033582262500
  0.368120819000  0.106941431000
 -0.828937375000 -0.248099409000
  1.098062390000  0.365190094000
  0.288387236000  0.097141618900
 -0.947723735000 -0.458604429000
 -0.469712955000 -0.354152830000
 -0.012924128200  0.684699302000
  0.002770511510  0.544702964000
* p-type functions
   10    1
       8411.08378000
       1735.97097000
        499.92775400
         69.61595590
         13.76208210
          3.57605351
          2.45289229
       6179.46221e-4
          0.28487568
       1164.55236e-4
  0.000603933904
  0.013670972015
  0.039307586211
 -0.142785985271
  0.346833460053
 -0.324330947295
 -0.351445513324
  0.625786825131
  0.472479969177
  0.077308696680
* d-type functions
   11    1
       1047.11221000
        300.95214700
        109.59115400
         20.40317530
          9.83784217
          4.84291208
          2.37244728
       5226.26335e-4
       2335.78783e-4
       1013.77245e-4
       4199.55053e-5
 -0.002754416878
 -0.015583924132
 -0.036527846618
  0.087891381409
  0.063109907473
 -0.117771988894
 -0.205718256921
  0.308479380850
  0.447124717416
  0.339754224604
  0.107110799760
* f-type functions
    9    1
        303.99333500
        102.92155400
         41.87328280
         18.13401720
          3.91249565
          1.88700359
       8930.85827e-4
       3966.69785e-4
       1552.84854e-4
 -0.005159777901
 -0.034745107615
 -0.102149420681
 -0.134986517920
  0.244254649674
  0.382863285876
  0.354751577174
  0.220049812473
  0.071077105481
* g-type functions
    3    1
          3.30700000
          1.11800000
          0.34630000
  0.527157085000
  0.535233332000
  0.238826514000
********************************************************************************
* Core AIMP: PuQR(7K)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.2009277700e5  1.5740539100e5  5.5548577900e4  2.1246619200e4  8.5463744300e3  3.4563380800e3  1.4309883000e3  6.6718041900e2  2.5395268900e2  1.2601005600e2 26.051264300000
 17.227523600000  5.097623260000  2.826341850000  1.440411390000
  0.052158834375  0.039157827625  0.059800170875  0.087151335000  0.115347977500  0.149952973125  0.259757713125  0.338378790625  0.272814817500  0.863778375000  1.182352656250
  0.393415774375  0.672737906250  0.355377386875  0.032817461625
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  9.0637620000e3  1.7229843000e3  4.4439986000e2  1.1818164000e2 27.697349000000
   10487413.00000000
    1072261.90000000
     193227.76000000
      47095.93500000
      14057.00200000
       4854.39400000
       1866.83670000
        773.94165000
        346.60761000
        165.04005000
         72.03506700
         38.17926300
         17.45442000
          9.61663960
          4.47547330
          2.48801950
          1.21900000
  0.004537816800  0.001930834700  0.000941906280  0.000490924400  0.000245698980
  0.013971199000  0.006031242500  0.002963791300  0.001542299600  0.000771803960
  0.037495218000  0.016654345000  0.008168737300  0.004269763400  0.002138318200
  0.092010285000  0.042121990000  0.020952371000  0.010922486000  0.005469174300
  0.199882050000  0.096591084000  0.048015187000  0.025218823000  0.012644874000
  0.345995550000  0.180612630000  0.092497979000  0.048477562000  0.024314515000
  0.374791200000  0.216767180000  0.110580870000  0.058894554000  0.029628073000
  0.156110880000 -0.037914748000 -0.041287434000 -0.026984684000 -0.014248667000
 -0.015621425000 -0.530514880000 -0.483584730000 -0.292468220000 -0.152642430000
 -0.020544966000 -0.495808520000 -0.523170570000 -0.351092330000 -0.189047470000
  0.006996466700 -0.079364384000  0.530655880000  0.593577840000  0.366001800000
  0.020328930000  0.025643125000  0.759059190000  1.000195400000  0.656504660000
 -0.005027100500 -0.008953888600  0.126771140000 -0.538156760000 -0.549937520000
 -0.009411510400 -0.002377509400 -0.020575844000 -0.937016790000 -1.280244800000
  0.000164961360 -0.001734024400  0.006382337400 -0.125000690000  0.449316190000
  0.003604964900  0.003183926300 -0.001367004800  0.009840312800  1.023955100000
  0.000513794070  0.000147234620  0.000800295950 -0.001213012300  0.177321150000
   14    4
  1.4300691000e3  3.6236396000e2 90.934649000000 18.964182000000
      32190.00000000
       7201.00000000
       2334.00000000
        911.30000000
        398.80000000
        188.20000000
         90.80000000
         46.66000000
         23.85000000
         12.64300000
          6.71300000
          3.56600000
          1.83900000
          0.85790000
  0.005315266600  0.002904419400  0.001528873900  0.000737191950
  0.029163969000  0.016036738000  0.008482623600  0.004136273200
  0.107040690000  0.060835799000  0.032366737000  0.015676586000
  0.268914320000  0.158717120000  0.085564656000  0.041922885000
  0.411682260000  0.254237130000  0.138139960000  0.067111912000
  0.304830350000  0.091019006000  0.029915895000  0.012805803000
  0.067104172000 -0.410715710000 -0.352961520000 -0.195767260000
 -0.010232762000 -0.547520340000 -0.465994520000 -0.249520990000
  0.001165992800 -0.174509950000  0.228974630000  0.200534180000
  0.004686194400 -0.001458978600  0.705932560000  0.644120680000
  0.002494585600 -0.000916562280  0.292425780000  0.091889485000
 -0.002062171000 -0.000202756740  0.022222259000 -0.707593700000
 -0.001209197200 -0.001413512900  0.000681596070 -0.489012020000
 -0.000202215450 -0.000066050927 -0.000339695990 -0.063212776000
   11    3
  2.8897170000e2 62.761972000000  9.251838100000
       1847.00000000
        563.30000000
        222.60000000
         99.00000000
         47.21000000
         22.71000000
         11.25000000
          5.54700000
          2.76700000
          1.32900000
          0.57730000
  0.011897651000  0.006720628000  0.003014399300
  0.074986681000  0.043769575000  0.019764236000
  0.248357610000  0.146165170000  0.066185021000
  0.436018560000  0.251807070000  0.113313410000
  0.346134240000  0.066999697000  0.010779189000
  0.091476375000 -0.414104050000 -0.256235800000
  0.000543913460 -0.523986910000 -0.292076300000
  0.000954672830 -0.173944700000  0.210573520000
  0.000148534160 -0.008728089000  0.579065910000
  0.000697600580 -0.000683132430  0.347044820000
  0.000014563983  0.000329424770  0.055853827000
    6    1
 33.682053000000
        248.60000000
         86.41000000
         36.56000000
         16.60000000
          7.68800000
          3.37700000
  0.025107648000
  0.134344790000
  0.334791910000
  0.439291090000
  0.285747370000
  0.063026668000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PuQR(7K)-[Xe,4f,5d]
End of Spectral Representation Operator

/Am.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.17el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
AMERICIUM (14s,10p,11d,9f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f,5d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on AmQR(10D)
********************************************************************************
    17.0   4
* s-type functions
   14    2
   27583898.90000000
    1676237.16000000
     166397.20700000
      22982.61230000
       3833.02683000
        282.87875700
         50.67171540
         11.91650290
          3.53565981
          2.54988735
       6143.57635e-4
       2787.80788e-4
       6160.42682e-5
       2545.27916e-5
 -0.000057666065  0.000016169859
 -0.000353206987  0.000099040458
 -0.001719083480  0.000482042358
 -0.007548245680  0.002116349650
 -0.023163744500  0.006492796980
  0.114575423000 -0.032125219400
 -0.362850687000  0.102542604000
  0.825402075000 -0.240270065000
 -0.464903443000  0.153315443000
 -0.863869887000  0.271887070000
  0.943943694000 -0.442351365000
  0.424191861000 -0.305907651000
  0.013985010000  0.696053722000
  0.000568166309  0.506897834000
* p-type functions
   10    1
       8706.24472000
       1791.48502000
        514.77479100
         71.60193660
         14.19966380
          3.93321300
          2.65017248
       6361.33685e-4
       2919.89983e-4
       1226.80962e-4
  0.000533779293
  0.013429164212
  0.038644811779
 -0.140157163043
  0.341285969469
 -0.247191494787
 -0.406783393104
  0.584381830151
  0.487752785157
  0.099617846654
* d-type functions
   11    1
       1078.71208000
        309.78534300
        112.75171200
         21.05464540
         10.63920300
          4.72664813
          2.40173196
       5202.96858e-4
       2123.55105e-4
       8176.28152e-5
       3011.96749e-5
 -0.002068132521
 -0.011735905387
 -0.027603024940
  0.065475780185
  0.042988176618
 -0.091879790655
 -0.143579589938
  0.228923416587
  0.387576703537
  0.427100266735
  0.221841992400
* f-type functions
    9    1
        314.89540100
        106.70917400
         43.49492160
         18.89595320
          4.09130902
          1.94895174
       8959.58386e-4
       3782.81031e-4
       1374.17735e-4
 -0.005178416390
 -0.034271226532
 -0.101110424439
 -0.134136750800
  0.245574843637
  0.386639924594
  0.356489085694
  0.225640559458
  0.084304141003
* g-type functions
    3    1
          3.38700000
          1.09800000
          0.31450000
  0.541088025000
  0.535939375000
  0.245873310000
********************************************************************************
* Core AIMP: AmQR(10D)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.4382177700e5  1.6319339100e5  5.7514277900e4  2.1972019200e4  8.8314744300e3  3.5709380800e3  1.4783803000e3  6.8884641900e2  2.6277168900e2  1.2999385600e2 26.776364300000
 17.678823600000  5.270283260000  2.899781850000  1.450607390000
  0.049032440588  0.036850855118  0.056273833471  0.081942965294  0.108390352941  0.141025551765  0.244042576471  0.318704341176  0.255451724118  0.815293805882  1.137133100000
  0.346082747647  0.643222041176  0.326255844118  0.028533119118
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  9.3034121000e3  1.7752186000e3  4.5894590000e2  1.2236572000e2 28.452964000000
   10917413.00000000
    1104261.90000000
     198227.76000000
      48175.93500000
      14347.00200000
       4942.39400000
       1894.83670000
        780.74165000
        352.30761000
        168.44005000
         73.48506700
         38.93926300
         17.73442000
          9.78963960
          4.53947330
          2.50501950
          1.21800000
  0.004735385100  0.002025350300  0.000989017880  0.000516606330  0.000259726690
  0.014496264000  0.006293247200  0.003096087700  0.001614395700  0.000812100900
  0.038562523000  0.017217386000  0.008453088500  0.004428650000  0.002227332000
  0.093870682000  0.043240883000  0.021538978000  0.011250025000  0.005664168200
  0.202458170000  0.098336389000  0.048925565000  0.025760757000  0.012968223000
  0.348204270000  0.182681300000  0.093695971000  0.049189428000  0.024818058000
  0.374021850000  0.214796750000  0.109251360000  0.058330051000  0.029415294000
  0.152016180000 -0.048995879000 -0.049177202000 -0.031808440000 -0.016676371000
 -0.018209472000 -0.533935810000 -0.490222480000 -0.297332270000 -0.156363780000
 -0.020156086000 -0.487086450000 -0.509574770000 -0.343336770000 -0.185316600000
  0.007461281100 -0.076308425000  0.548414880000  0.619266630000  0.383483890000
  0.020828396000  0.025897030000  0.747159820000  0.982742320000  0.652117050000
 -0.005845845100 -0.009433934800  0.120609490000 -0.578465690000 -0.604715470000
 -0.009405130600 -0.002424479800 -0.020719018000 -0.913717310000 -1.262026500000
  0.000513375800 -0.001473364200  0.006423700800 -0.114056870000  0.540564140000
  0.003601939300  0.003165727100 -0.001290868500  0.009338111500  0.981810340000
  0.000444822990  0.000108337120  0.000760637960 -0.001149572500  0.152397470000
   14    4
  1.4677117000e3  3.7308088000e2 93.872127000000 19.303084000000
      32760.00000000
       7336.00000000
       2373.00000000
        924.60000000
        403.70000000
        190.20000000
         91.58000000
         46.95000000
         23.85000000
         12.62800000
          6.65600000
          3.55600000
          1.82400000
          0.82890000
  0.005449456200  0.002985606700  0.001575574200  0.000764197830
  0.029730300000  0.016384944000  0.008696950200  0.004259664300
  0.108869830000  0.062045053000  0.033100981000  0.016123494000
  0.272666750000  0.161283760000  0.087255649000  0.042946332000
  0.414009420000  0.255812410000  0.139237870000  0.068038285000
  0.300606610000  0.082326530000  0.023992076000  0.009589641900
  0.063084348000 -0.425610860000 -0.368048990000 -0.205138430000
 -0.010616309000 -0.542396410000 -0.457260660000 -0.245742370000
  0.001539406200 -0.163235230000  0.266748790000  0.232306930000
  0.004988115300  0.000967870090  0.708873910000  0.655496830000
  0.002189243400 -0.001270764400  0.265360480000  0.029088611000
 -0.002208996500 -0.000243144190  0.016035769000 -0.729484200000
 -0.001156437200 -0.001393484000  0.000923562890 -0.452055110000
 -0.000171757600 -0.000040173141 -0.000350850080 -0.051220384000
   11    3
  2.9743704000e2 64.827602000000  9.273440300000
       1871.00000000
        570.30000000
        225.10000000
         99.90000000
         47.50000000
         22.71000000
         11.21000000
          5.47200000
          2.71600000
          1.29100000
          0.54420000
  0.012228134000  0.006931351900  0.003134958000
  0.076756924000  0.045068449000  0.020438514000
  0.253306080000  0.149676330000  0.068272280000
  0.440378400000  0.255017990000  0.115061350000
  0.341234140000  0.054678876000  0.004136515200
  0.085608705000 -0.435546870000 -0.272601310000
 -0.000398490530 -0.517437390000 -0.280945710000
  0.001067189300 -0.155724060000  0.258659110000
  0.000178068920 -0.005302886100  0.581991060000
  0.000663599240 -0.000834599540  0.314792870000
  0.000002935208  0.000322132600  0.045640840000
    6    1
 35.060081000000
        252.30000000
         87.70000000
         37.13000000
         16.89000000
          7.85400000
          3.46400000
  0.025974507000
  0.138139200000
  0.340410750000
  0.439355880000
  0.277685750000
  0.058709373000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
AmQR(10D)-[Xe,4f,5d]
End of Spectral Representation Operator

/Cm.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.18el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
CURIUM (14s,10p,11d,9f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f,5d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on CmQR(9D)
********************************************************************************
    18.0   4
* s-type functions
   14    2
   30403851.40000000
    1835918.51000000
     180183.53800000
      24520.44850000
       3994.02936000
        291.25787000
         52.32435550
         12.33898800
          3.69571635
          2.64834292
       6592.22024e-4
       3098.01609e-4
       7449.07532e-5
       2924.51931e-5
 -0.000058739070  0.000016585099
 -0.000358846228  0.000101320842
 -0.001741449350  0.000491702016
 -0.007655534090  0.002161502230
 -0.023842415300  0.006731164180
  0.116819058000 -0.033019068600
 -0.371766037000  0.105985515000
  0.851026902000 -0.250171050000
 -0.498710975000  0.163142136000
 -0.874107448000  0.283784535000
  0.959267601000 -0.458338337000
  0.428700069000 -0.330746667000
  0.011242024200  0.681602882000
 -0.002312732130  0.546031065000
* p-type functions
   10    1
       9011.81407000
       1848.94868000
        530.06450100
         73.60841990
         14.69461360
          3.95795997
          2.69700352
       6736.71418e-4
       3105.12928e-4
       1269.77857e-4
  0.000493797842
  0.013956028848
  0.040204663608
 -0.145766504723
  0.354359861564
 -0.304785136451
 -0.373455679182
  0.613403730008
  0.479726136547
  0.082758173924
* d-type functions
   11    1
       1107.34699000
        317.90874700
        115.78234200
         21.77054450
         10.97305780
          5.06025075
          2.56441986
       5627.11585e-4
       2448.88771e-4
       1028.90741e-4
       4112.07024e-5
 -0.002398606530
 -0.014995779026
 -0.035234227227
  0.083294217431
  0.056673761702
 -0.112659431206
 -0.187052223938
  0.289555453945
  0.438115968806
  0.361252533237
  0.130562940544
* f-type functions
    9    1
        329.61820200
        111.70337200
         45.54196450
         19.79883070
          4.27738635
          2.04695966
       9644.66442e-4
       4322.32045e-4
       1730.08577e-4
 -0.005260793417
 -0.035730139339
 -0.106877142673
 -0.143743978747
  0.265387453873
  0.401076937744
  0.344070947576
  0.192922123484
  0.054626104098
* g-type functions
    3    1
          3.68600000
          1.27600000
          0.40630000
  0.540341383000
  0.524645904000
  0.221687147000
********************************************************************************
* Core AIMP: CmQR(9D)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.6799477700e5  1.6899339100e5  5.9455477900e4  2.2680319200e4  9.1084944300e3  3.6828980800e3  1.5258083000e3  7.1098441900e2  2.7208468900e2  1.3414355600e2 27.522864300000
 18.214323600000  5.460243260000  3.022711850000  1.539354390000
  0.046280471056  0.034838246389  0.053201062278  0.077389611667  0.102257975556  0.133130827222  0.230061038889  0.300975033889  0.239651223889  0.772603150000  1.096484550000
  0.303213406111  0.615548883333  0.301852385556  0.025845467111
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  9.5490172000e3  1.8297123000e3  4.7482616000e2  1.2761571000e2 30.181282000000
   12867413.00000000
    1291261.90000000
     230027.76000000
      55475.93500000
      16357.00200000
       5579.39400000
       2124.83670000
        881.64165000
        385.40761000
        181.24005000
         77.51506800
         41.16926300
         18.61442000
         10.34164000
          4.81647330
          2.67701950
          1.31000000
  0.004562798900  0.001961810600  0.000958985830  0.000501931700  0.000253875150
  0.013839063000  0.006028172100  0.002967591200  0.001550971100  0.000784519890
  0.036384507000  0.016312157000  0.008015349000  0.004207092300  0.002129142700
  0.088029964000  0.040591850000  0.020226122000  0.010588932000  0.005359711000
  0.190782670000  0.092791285000  0.046179884000  0.024353257000  0.012338492000
  0.335726330000  0.174660620000  0.089428169000  0.047047783000  0.023853382000
  0.379709670000  0.218814980000  0.111564850000  0.059601082000  0.030281867000
  0.175970350000 -0.011531006000 -0.024261232000 -0.017375399000 -0.009400683700
 -0.009385961900 -0.512792350000 -0.463171040000 -0.280710340000 -0.148118580000
 -0.024446569000 -0.521002740000 -0.546632820000 -0.366043200000 -0.198839990000
  0.007538644800 -0.089456857000  0.502265120000  0.569575250000  0.355989420000
  0.021292504000  0.029873754000  0.775263750000  1.017882700000  0.677240350000
 -0.004776838500 -0.010793158000  0.133297360000 -0.527648860000 -0.558679440000
 -0.010484508000 -0.001729912400 -0.023832258000 -0.943414960000 -1.303575100000
  0.000506240800 -0.002213073400  0.007414970900 -0.125421140000  0.489093920000
  0.003730761000  0.003623754600 -0.001667248300  0.010220257000  1.013278400000
  0.000537094710  0.000092583061  0.000882644650 -0.001255585700  0.167762700000
   14    4
  1.5068656000e3  3.8493882000e2 97.811089000000 20.569137000000
      34180.00000000
       7640.00000000
       2470.00000000
        962.10000000
        420.60000000
        198.50000000
         95.88000000
         49.31000000
         25.25000000
         13.41700000
          7.13700000
          3.81700000
          1.97100000
          0.91790000
  0.005421848300  0.002975561900  0.001575895900  0.000769640670
  0.029366111000  0.016224808000  0.008633800000  0.004259052700
  0.107337010000  0.061254595000  0.032787409000  0.016080972000
  0.269024110000  0.159330000000  0.086395645000  0.042827518000
  0.411304930000  0.254258400000  0.138881690000  0.068328246000
  0.305115640000  0.090656016000  0.029442746000  0.012512141000
  0.067321317000 -0.410493150000 -0.355783610000 -0.200010960000
 -0.010749908000 -0.547306190000 -0.468240330000 -0.254497710000
  0.001212207600 -0.174813500000  0.231792710000  0.208138510000
  0.005099295700 -0.001094031100  0.709987240000  0.661607080000
  0.002551898900 -0.000831830070  0.288451500000  0.075963415000
 -0.002236931500 -0.000342946450  0.021019036000 -0.719616140000
 -0.001267691900 -0.001459064700  0.000745087160 -0.478078490000
 -0.000205227610 -0.000071256716 -0.000342280860 -0.060032521000
   11    3
  3.0697059000e2 67.868780000000 10.156013000000
       1855.00000000
        565.20000000
        223.50000000
         99.70000000
         47.76000000
         23.19000000
         11.59000000
          5.74300000
          2.87900000
          1.38700000
          0.60220000
  0.013084163000  0.007474472200  0.003420433900
  0.081338764000  0.047937446000  0.021990075000
  0.262092650000  0.155867310000  0.071940643000
  0.441260170000  0.254686730000  0.115950740000
  0.329801240000  0.043286348000 -0.002215396600
  0.081306648000 -0.434967310000 -0.275873840000
  0.000192540080 -0.510339130000 -0.281598480000
  0.000720817890 -0.157606030000  0.252443260000
  0.000364706230 -0.006574328400  0.579486510000
  0.000622534930 -0.000700796560  0.320509960000
  0.000026312313  0.000300755500  0.047888432000
    6    1
 37.401838000000
        264.00000000
         91.85000000
         38.95000000
         17.76000000
          8.28000000
          3.66200000
  0.025139505000
  0.134965980000
  0.336514090000
  0.440026700000
  0.281630070000
  0.060033882000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CmQR(9D)-[Xe,4f,5d]
End of Spectral Representation Operator

/Bk.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.19el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
BERKELIUM (14s,10p,11d,9f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f,5d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on BkQR(8H)
********************************************************************************
    19.0   4
* s-type functions
   14    2
   33287078.30000000
    1999748.82000000
     194358.97300000
      26103.36300000
       4154.08835000
        299.72768500
         53.99930650
         12.77331370
          3.84504827
          2.74701645
       6896.00681e-4
       3238.29069e-4
       7744.97364e-5
       3031.48854e-5
 -0.000058737368  0.000016515336
 -0.000357671422  0.000100567113
 -0.001728698020  0.000486063536
 -0.007600947940  0.002137073030
 -0.024016935800  0.006751578040
  0.116642877000 -0.032823290700
 -0.373217127000  0.105947226000
  0.858577544000 -0.251395959000
 -0.526322348000  0.171185650000
 -0.853503703000  0.276047055000
  0.956642614000 -0.452997245000
  0.432724226000 -0.334353312000
  0.011469054900  0.680971902000
 -0.002357567650  0.546371339000
* p-type functions
   10    1
       9310.60376000
       1906.04886000
        545.41934600
         75.69270580
         15.16180080
          4.37531446
          2.96302177
       6866.63347e-4
       3117.94702e-4
       1254.14867e-4
  0.000439114600
  0.014127563263
  0.040701639056
 -0.147369481952
  0.359131378896
 -0.221984391087
 -0.454022775651
  0.632449163219
  0.465776587270
  0.072727687131
* d-type functions
   11    1
       1135.58745000
        325.97727000
        118.80811900
         22.53940900
         11.67890030
          5.17197725
          2.66137347
       5776.10926e-4
       2466.67708e-4
       1012.16109e-4
       3936.88843e-5
 -0.002209862732
 -0.014309516259
 -0.033570793289
  0.077935086841
  0.052803344807
 -0.106817919138
 -0.172843493306
  0.274177931174
  0.429213571600
  0.377881861576
  0.151038522125
* f-type functions
    9    1
        343.23563900
        116.33332200
         47.45698790
         20.65849850
          4.47406677
          2.13495307
          1.00110680
       4467.91839e-4
       1781.78334e-4
 -0.005098465701
 -0.035935010076
 -0.108496515533
 -0.147278824050
  0.272549237873
  0.404974892049
  0.340336055226
  0.187357233931
  0.052303125476
* g-type functions
    3    1
          3.86500000
          1.33700000
          0.42450000
  0.547018485000
  0.520988792000
  0.217900104000
********************************************************************************
* Core AIMP: BkQR(8H)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.9532477700e5  1.7548639100e5  6.1706377900e4  2.3517819200e4  9.4326844300e3  3.8117380800e3  1.5783413000e3  7.3463241900e2  2.8176768900e2  1.3835255600e2 28.288064300000
 18.703223600000  5.652183260000  3.128681850000  1.593268390000
  0.043742972632  0.032991641684  0.050266123789  0.073182639474  0.096698813158  0.125964983158  0.217407168421  0.285525506842  0.225830692632  0.734270331579  1.059136010526
  0.266377754211  0.589743489474  0.280781405263  0.023343628684
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  9.7994639000e3  1.8851921000e3  4.9066978000e2  1.3254891000e2 31.498095000000
   12687413.00000000
    1268261.90000000
     224927.76000000
      54095.93500000
      15957.00200000
       5450.39400000
       2075.83670000
        854.64165000
        382.00761000
        181.74005000
         78.79506800
         41.80926300
         19.09442000
         10.60264000
          4.97247330
          2.75301950
          1.34800000
  0.004916883400  0.002125220600  0.001040000200  0.000545429020  0.000277202110
  0.014818126000  0.006496932400  0.003201485000  0.001676822900  0.000852630260
  0.038792998000  0.017490850000  0.008605914900  0.004526205000  0.002301230900
  0.093049852000  0.043259474000  0.021582208000  0.011324283000  0.005763223800
  0.199073690000  0.097475132000  0.048587996000  0.025678223000  0.013067818000
  0.343445940000  0.180465460000  0.092570447000  0.048813390000  0.024892367000
  0.376178210000  0.214658730000  0.109071120000  0.058356508000  0.029745621000
  0.161128480000 -0.039207977000 -0.043504438000 -0.028624698000 -0.015232726000
 -0.016241546000 -0.525655060000 -0.480777050000 -0.292959240000 -0.155774100000
 -0.022425789000 -0.497136160000 -0.518364130000 -0.348970310000 -0.190394410000
  0.007828007100 -0.080965371000  0.532436810000  0.605824640000  0.380518600000
  0.022099725000  0.028293006000  0.755330620000  0.996739260000  0.670466840000
 -0.005869595700 -0.010386765000  0.125337130000 -0.559011060000 -0.599414840000
 -0.010316711000 -0.002411587200 -0.021907934000 -0.927450820000 -1.296968200000
  0.000539884610 -0.001787541700  0.006695956200 -0.119959040000  0.533975520000
  0.003880792800  0.003514823900 -0.001232579200  0.009321289300  0.996211960000
  0.000503377280  0.000116535010  0.000800985060 -0.001128619200  0.158349340000
   14    4
  1.5462202000e3  3.9655936000e2  1.0137114000e2 21.415930000000
      36110.00000000
       8007.00000000
       2580.00000000
       1003.00000000
        437.50000000
        206.00000000
         99.35000000
         51.05000000
         26.14000000
         13.90100000
          7.40100000
          3.96500000
          2.04700000
          0.95200000
  0.005322688200  0.002927222900  0.001554845100  0.000763697120
  0.028866163000  0.015981190000  0.008528052900  0.004230161400
  0.105476860000  0.060285831000  0.032359391000  0.015960782000
  0.265685880000  0.157480040000  0.085608049000  0.042670082000
  0.410767710000  0.254145790000  0.139207250000  0.068886220000
  0.309518200000  0.096161605000  0.033008001000  0.014375513000
  0.069758322000 -0.404808460000 -0.352289180000 -0.199328020000
 -0.011032828000 -0.550754090000 -0.473620080000 -0.259464750000
  0.001168650500 -0.178516130000  0.224421940000  0.205275500000
  0.005279407400 -0.001191355900  0.712867810000  0.670021240000
  0.002655172900 -0.000806733130  0.291310170000  0.077364452000
 -0.002326406600 -0.000383200010  0.021228425000 -0.723909850000
 -0.001306366500 -0.001501507700  0.000761099950 -0.477117130000
 -0.000210158720 -0.000073665850 -0.000342470980 -0.059406355000
   11    3
  3.1619915000e2 70.508161000000 10.641055000000
       1845.00000000
        561.90000000
        222.40000000
         99.40000000
         47.72000000
         23.29000000
         11.71000000
          5.83600000
          2.93900000
          1.42200000
          0.61810000
  0.013914066000  0.007993020300  0.003691731200
  0.085660619000  0.050725810000  0.023441866000
  0.270911460000  0.161929930000  0.075408962000
  0.444108340000  0.255650170000  0.116891760000
  0.319326040000  0.027200487000 -0.011264566000
  0.074981434000 -0.447424260000 -0.286980510000
  0.000015387534 -0.499550910000 -0.272304750000
  0.000591794190 -0.148497470000  0.273037250000
  0.000479117050 -0.005920879700  0.576006710000
  0.000582113920 -0.000631218350  0.309203970000
  0.000034803133  0.000267688800  0.045232591000
    6    1
 39.336734000000
        270.90000000
         94.30000000
         40.02000000
         18.28000000
          8.55100000
          3.79600000
  0.025340190000
  0.136020330000
  0.338527550000
  0.440284380000
  0.278199110000
  0.058103210000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
BkQR(8H)-[Xe,4f,5d]
End of Spectral Representation Operator

/Cf.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.20el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
CALIFORNIUM (14s,10p,11d,9f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f,5d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on CfQR(7K)
********************************************************************************
    20.0   4
* s-type functions
   14    2
   36580619.00000000
    2185020.44000000
     210140.14500000
      27819.14910000
       4319.89172000
        307.98627300
         55.80657030
         13.17079450
          4.21282121
          2.89663461
       7233.06752e-4
       3401.87249e-4
       7962.85534e-5
       3111.16868e-5
 -0.000058458866  0.000016307342
 -0.000355056895  0.000099044318
 -0.001710600960  0.000477180464
 -0.007529075030  0.002100166050
 -0.024143748100  0.006733772500
  0.116379975000 -0.032492706600
 -0.373258136000  0.105143113000
  0.869022732000 -0.252622859000
 -0.450074491000  0.144818818000
 -0.941144875000  0.302270976000
  0.945958270000 -0.440852955000
  0.444950733000 -0.339918896000
  0.012193101800  0.679574171000
 -0.002599221440  0.544716436000
* p-type functions
   10    1
       9664.82356000
       1970.37208000
        561.80560000
         77.80273920
         15.63592500
          4.81896290
          3.17181534
       7051.32664e-4
       3165.05417e-4
       1256.00247e-4
  0.000368239316
  0.014246880038
  0.041165327753
 -0.148723389863
  0.363425831548
 -0.170461348670
 -0.504829939899
  0.642276444155
  0.458775942791
  0.067221586883
* d-type functions
   11    1
       1162.37691000
        333.62369700
        121.73157400
         23.41382480
         12.52094390
          5.29218162
          2.76663345
       5945.43125e-4
       2503.56693e-4
       1012.32781e-4
       3882.15645e-5
 -0.002074368491
 -0.014083741604
 -0.032913672322
  0.074101001360
  0.051677487784
 -0.103551355913
 -0.165500331072
  0.268871983736
  0.426179205598
  0.384342078226
  0.159853574654
* f-type functions
    9    1
        354.95045700
        120.43537600
         49.22880970
         21.49455860
          4.67298686
          2.22018278
          1.03383221
       4591.12665e-4
       1829.49708e-4
 -0.005082383413
 -0.036345040020
 -0.110069151276
 -0.150144541367
  0.279537418820
  0.410194315048
  0.337115153091
  0.180507878577
  0.048773450726
* g-type functions
    3    1
          4.04800000
          1.40300000
          0.44590000
  0.552454114000
  0.517218463000
  0.214539447000
********************************************************************************
* Core AIMP: CfQR(7K)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.4267577700e5  1.6757839100e5  6.0459477900e4  2.3442019200e4  9.4799444300e3  3.8517580800e3  1.6083523000e3  7.5272641900e2  2.8979768900e2  1.4250955600e2 29.026564300000
 18.997923600000  5.837583260000  3.226071850000  1.641249390000
  0.043638759800  0.031778967900  0.047887579600  0.069502037000  0.091750352000  0.119770194500  0.206664103000  0.269163508500  0.213698542500  0.698062355000  1.032290275000
  0.227042328000  0.567453290000  0.260469842000  0.020827868250
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  1.0055298000e4  1.9421064000e3  5.0690732000e2  1.3758877000e2 32.826419000000
   14507413.00000000
    1441261.90000000
     254127.76000000
      60645.93500000
      17747.00200000
       6019.39400000
       2281.83670000
        943.94165000
        411.70761000
        193.44005000
         82.79506800
         43.99926300
         19.92442000
         11.12464000
          5.21447330
          2.89701950
          1.41800000
  0.004838367800  0.002102531800  0.001029927500  0.000541163260  0.000276342170
  0.014427905000  0.006351011800  0.003131459200  0.001643515600  0.000839479520
  0.037397069000  0.016936280000  0.008340474100  0.004394365000  0.002245032000
  0.089162936000  0.041544933000  0.020733801000  0.010901533000  0.005572627900
  0.190712140000  0.093611817000  0.046686512000  0.024712717000  0.012638390000
  0.333695170000  0.174463820000  0.089380857000  0.047217639000  0.024179178000
  0.379424700000  0.217002390000  0.110468930000  0.059161837000  0.030320531000
  0.179529300000 -0.012081258000 -0.025681797000 -0.018310954000 -0.009960872700
 -0.009161793900 -0.509263790000 -0.460397030000 -0.280484000000 -0.149632540000
 -0.025983001000 -0.521717710000 -0.544873040000 -0.365447850000 -0.200311630000
  0.007921266700 -0.091033156000  0.494923270000  0.565931180000  0.357923980000
  0.022586507000  0.031240434000  0.778318930000  1.024246800000  0.690941230000
 -0.004977569600 -0.011293698000  0.136061040000 -0.520570020000 -0.567226510000
 -0.011315645000 -0.002044768300 -0.025025189000 -0.949865310000 -1.326989700000
  0.000638019430 -0.002252202100  0.007700381900 -0.127244730000  0.510501770000
  0.003965234700  0.003840351500 -0.001606207600  0.010131358000  1.011292900000
  0.000566930970  0.000105242240  0.000905700700 -0.001235782700  0.165012210000
   14    4
  1.5861772000e3  4.0836042000e2  1.0497052000e2 22.253880000000
      37340.00000000
       8254.00000000
       2657.00000000
       1031.60000000
        449.80000000
        211.90000000
        102.24000000
         52.57000000
         26.94000000
         14.35500000
          7.65500000
          4.10600000
          2.11800000
          0.98260000
  0.005364985100  0.002956927900  0.001575063100  0.000777880610
  0.028933146000  0.016054276000  0.008591436200  0.004283098800
  0.105422920000  0.060376170000  0.032498768000  0.016116052000
  0.265425980000  0.157563880000  0.085886307000  0.043026160000
  0.410170890000  0.253930570000  0.139427420000  0.069366972000
  0.310085220000  0.096789666000  0.033371792000  0.014560663000
  0.070505439000 -0.402930920000 -0.352153040000 -0.200452650000
 -0.011379142000 -0.551300710000 -0.475414940000 -0.262175090000
  0.001213743500 -0.179951200000  0.221958250000  0.205899280000
  0.005436766500 -0.001056756700  0.714262320000  0.677238170000
  0.002747247900 -0.000802531680  0.292231230000  0.074859396000
 -0.002426372700 -0.000429317550  0.021251892000 -0.729029050000
 -0.001337795700 -0.001539155600  0.000742450330 -0.474224640000
 -0.000213058540 -0.000074327735 -0.000336658580 -0.058029853000
   11    3
  3.2553616000e2 73.162236000000 11.112171000000
       1854.00000000
        564.00000000
        223.10000000
         99.80000000
         47.99000000
         23.54000000
         11.89000000
          5.94300000
          2.99400000
          1.44800000
          0.62750000
  0.014496462000  0.008373522800  0.003899403900
  0.088847656000  0.052839547000  0.024589323000
  0.277677050000  0.166803750000  0.078306368000
  0.446077470000  0.256232980000  0.117651480000
  0.311279480000  0.014970930000 -0.018366230000
  0.070427376000 -0.456168250000 -0.295725670000
 -0.000032362340 -0.491823460000 -0.265245880000
  0.000470824980 -0.141586110000  0.292146640000
  0.000589038720 -0.005252028700  0.575143290000
  0.000543681140 -0.000599523140  0.297037150000
  0.000040141719  0.000246194650  0.041590869000
    6    1
 41.278809000000
        285.10000000
         99.29000000
         42.17000000
         19.28000000
          9.02500000
          4.00600000
  0.024180896000
  0.131603430000
  0.333324920000
  0.441817390000
  0.283921650000
  0.059908495000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CfQR(7K)-[Xe,4f,5d]
End of Spectral Representation Operator

/Es.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.21el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
EINSTEINIUM (14s,10p,11d,9f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f,5d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on EsQR(6L)
********************************************************************************
    21.0   4
* s-type functions
   14    2
   39917068.00000000
    2373196.13000000
     226116.99000000
      29550.10870000
       4480.62621000
        315.43578900
         57.58180650
         13.65885230
          4.17122456
          2.95981254
          0.74755977
       3483.63957e-4
       8211.38959e-5
       3190.44984e-5
 -0.000058272773  0.000016091628
 -0.000352864519  0.000097440756
 -0.001693675220  0.000467698911
 -0.007454007410  0.002058231240
 -0.024224357600  0.006687707700
  0.116268450000 -0.032127361500
 -0.374112489000  0.104312050000
  0.869627273000 -0.250203786000
 -0.564415734000  0.179631728000
 -0.823372787000  0.261549392000
  0.955767615000 -0.439754722000
  0.433875874000 -0.334315458000
  0.011239277700  0.675194690000
 -0.002313941370  0.548423989000
* p-type functions
   10    1
       9982.79985000
       2029.87689000
        577.87110000
         79.91486240
         16.17860930
          4.49550627
          3.07002835
       7488.84351e-4
       3393.04839e-4
       1363.13322e-4
  0.000306731670
  0.014389802138
  0.041548819222
 -0.150089258699
  0.364453031492
 -0.296859763751
 -0.382850932357
  0.619241996180
  0.476897657171
  0.078009353309
* d-type functions
   11    1
       1192.01355000
        341.90200500
        124.72717400
         24.34054230
         13.07742170
          5.78819787
          2.96503888
       6089.97226e-4
       2557.69042e-4
       1031.96784e-4
       3931.61495e-5
 -0.001953565556
 -0.014057406747
 -0.032800318004
  0.071587446722
  0.055037570070
 -0.092120764617
 -0.173593836852
  0.268437821562
  0.421669919698
  0.386217353786
  0.165352373465
* f-type functions
    9    1
        368.92009100
        125.19703900
         51.19691680
         22.37176540
          4.88273993
          2.32587107
          1.08680798
       4846.45547e-4
       1940.39239e-4
 -0.005014436893
 -0.036447560428
 -0.111382355520
 -0.153256578467
  0.283880315590
  0.410226217277
  0.333442505463
  0.178176529139
  0.048497624272
* g-type functions
    3    1
          4.23300000
          1.47000000
          0.46790000
  0.557514540000
  0.513787405000
  0.211003624000
********************************************************************************
* Core AIMP: EsQR(6L)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.6686877700e5  1.7365639100e5  6.2585777900e4  2.4246019200e4  9.7988844300e3  3.9805380800e3  1.6619793000e3  7.7721041900e2  2.9989468900e2  1.4689035600e2 29.853064300000
 19.549323600000  6.043213260000  3.334051850000  1.691225390000
  0.041522749905  0.030261185000  0.045574028143  0.066072364762  0.087192080476  0.113920611905  0.196348665238  0.256513740476  0.202533791905  0.666705480952  0.996074657143
  0.202640018095  0.545166552381  0.244893689048  0.018866101190
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  1.0316701000e4  2.0005169000e3  5.2356040000e2  1.4274690000e2 34.174566000000
   15037413.00000000
    1484261.90000000
     260727.76000000
      62015.93500000
      18077.00200000
       6106.39400000
       2306.83670000
        949.14165000
        418.00761000
        197.14005000
         85.01506800
         45.10926300
         20.47442000
         11.44864000
          5.38647330
          2.98501950
          1.46000000
  0.005065483600  0.002212950500  0.001085070800  0.000571224360  0.000292955280
  0.014989973000  0.006637203800  0.003275308200  0.001722299200  0.000883747950
  0.038531003000  0.017539701000  0.008646683900  0.004564576600  0.002341816600
  0.091179889000  0.042757188000  0.021358619000  0.011251479000  0.005778598400
  0.193944390000  0.095672926000  0.047767084000  0.025335696000  0.013010108000
  0.336873900000  0.177103140000  0.090806258000  0.048056935000  0.024729654000
  0.378760700000  0.215040580000  0.109221240000  0.058585862000  0.030124036000
  0.174173960000 -0.023686446000 -0.034043990000 -0.023313890000 -0.012591321000
 -0.012439931000 -0.514543080000 -0.467482450000 -0.285666480000 -0.153314090000
 -0.025438351000 -0.511855080000 -0.532927990000 -0.358676230000 -0.197364070000
  0.008131231400 -0.086924690000  0.506710700000  0.581448990000  0.369397680000
  0.023377815000  0.030325530000  0.771247290000  1.016682800000  0.691553390000
 -0.005640889600 -0.010923715000  0.132798450000 -0.537474870000 -0.593953740000
 -0.011404304000 -0.002674931300 -0.024719069000 -0.940930470000 -1.324392900000
  0.000719900270 -0.001904205000  0.007547879300 -0.123996960000  0.543634720000
  0.004091020300  0.003776139800 -0.001431238000  0.009736580200  0.998968640000
  0.000548284380  0.000126950370  0.000877895900 -0.001180179900  0.157610820000
   14    4
  1.6267501000e3  4.2035130000e2  1.0861699000e2 23.089803000000
      38980.00000000
       8617.00000000
       2768.00000000
       1072.50000000
        466.50000000
        219.30000000
        105.82000000
         54.41000000
         27.93000000
         14.89400000
          7.96000000
          4.26600000
          2.19900000
          1.01860000
  0.005318677600  0.002937014500  0.001568995000  0.000778626160
  0.028514234000  0.015856773000  0.008507675700  0.004262282800
  0.103910990000  0.059596710000  0.032167502000  0.016028775000
  0.262786200000  0.156167390000  0.085323400000  0.042952559000
  0.409887180000  0.253854670000  0.139757820000  0.069869278000
  0.313445830000  0.101178940000  0.036174469000  0.016072384000
  0.072466560000 -0.397281460000 -0.348389340000 -0.199496780000
 -0.011506233000 -0.553722060000 -0.480296380000 -0.266651970000
  0.001049028900 -0.184008670000  0.212567730000  0.200768790000
  0.005672427800 -0.001548605700  0.716183040000  0.684667910000
  0.002839774100 -0.000643189100  0.297128620000  0.079720809000
 -0.002488264400 -0.000524394750  0.022192934000 -0.732220620000
 -0.001391344300 -0.001566559500  0.000647889670 -0.474910410000
 -0.000217323320 -0.000081972833 -0.000318421860 -0.057872401000
   11    3
  3.3498868000e2 75.837955000000 11.575438000000
       1848.00000000
        563.10000000
        223.60000000
        100.50000000
         48.51000000
         23.89000000
         12.13000000
          6.10200000
          3.08100000
          1.49200000
          0.64560000
  0.015316508000  0.008891609500  0.004169833200
  0.092543666000  0.055293517000  0.025908908000
  0.283234770000  0.170897950000  0.080801781000
  0.445577470000  0.255643960000  0.117899910000
  0.304688520000  0.005251543900 -0.024249805000
  0.067390181000 -0.462183150000 -0.302513480000
 -0.000187578100 -0.484761350000 -0.259986070000
  0.000443854770 -0.137212730000  0.302950110000
  0.000639183830 -0.005288557200  0.573362940000
  0.000536836190 -0.000502870500  0.291321860000
  0.000042825452  0.000211814040  0.040182335000
    6    1
 43.234761000000
        296.00000000
        103.23000000
         43.91000000
         20.11000000
          9.43000000
          4.19000000
  0.023708708000
  0.129652630000
  0.330924120000
  0.442531280000
  0.286032610000
  0.060274026000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
EsQR(6L)-[Xe,4f,5d]
End of Spectral Representation Operator

/Fm.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.22el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
FERMIUM (14s,10p,11d,9f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f,5d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on FmQR(5L)
********************************************************************************
    22.0   4
* s-type functions
   14    2
   45422829.40000000
    2686061.15000000
     253089.42500000
      32487.75200000
       4672.17551000
        329.52936700
         59.48323560
         14.21201040
          4.31880764
          3.07011038
          0.78337489
       3645.06327e-4
       8473.73312e-5
       3279.08543e-5
 -0.000058784397  0.000016105259
 -0.000354685556  0.000097173168
 -0.001694464120  0.000464240801
 -0.007490376780  0.002051926110
 -0.025563014400  0.007001559660
  0.116190512000 -0.031842504600
 -0.377887879000  0.104516565000
  0.878634387000 -0.250858738000
 -0.600747583000  0.190146759000
 -0.793093939000  0.249301343000
  0.950727779000 -0.432271968000
  0.439515528000 -0.334920927000
  0.011623902100  0.672331565000
 -0.002443365650  0.548485215000
* p-type functions
   10    1
      10324.59050000
       2093.52850000
        594.54041700
         82.10593490
         16.69238950
          4.77621811
          3.27791174
       7672.07379e-4
       3455.86069e-4
          0.13847360
  0.000240485438
  0.014509271344
  0.041924753406
 -0.151217007521
  0.367083921235
 -0.259011351118
 -0.417354486791
  0.625347039525
  0.469795176387
  0.075697038852
* d-type functions
   11    1
       1216.66714000
        349.48854400
        127.81992400
         24.97933150
         13.28069680
          6.06475646
          3.08456380
       6299.28147e-4
       2630.62212e-4
          0.10542026
       3984.69694e-5
 -0.001904903720
 -0.014059735698
 -0.032654532733
  0.072285663747
  0.055148753766
 -0.091959424800
 -0.172200349097
  0.265869490892
  0.420170086874
  0.389074185407
  0.169906088789
* f-type functions
    9    1
        383.25375400
        129.99860200
         53.15508170
         23.24629910
          5.09707103
          2.43190377
          1.13738307
          0.50749596
       2033.28494e-4
 -0.004980430773
 -0.036536848053
 -0.112611858435
 -0.156004340899
  0.287558302767
  0.410824412420
  0.330799651330
  0.175936797113
  0.047896003407
* g-type functions
    3    1
          4.42000000
          1.53700000
          0.48950000
  0.562123228000
  0.510708577000
  0.207957718000
********************************************************************************
* Core AIMP: FmQR(5L)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.9250177700e5  1.7912039100e5  6.4027777900e4  2.4628219200e4  9.9286044300e3  4.0431980800e3  1.6975983000e3  7.9681441900e2  3.0833568900e2  1.5121365600e2 30.644964300000
 19.824423600000  6.239123260000  3.434481850000  1.738007390000
  0.039629382500  0.029113308864  0.044057173136  0.063704380000  0.083415106818  0.108877207273  0.187630032727  0.243339475909  0.192758044545  0.636712054545  0.970478763636
  0.173885186818  0.525758740909  0.229122600000  0.016973089182
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  1.0583868000e4  2.0604924000e3  5.4065512000e2  1.4803846000e2 35.553639000000
   16347413.00000000
    1611261.90000000
     281427.76000000
      66605.93500000
      19327.00200000
       6501.39400000
       2444.83670000
       1002.24170000
        437.80761000
        205.44005000
         88.26506800
         46.82926300
         21.27442000
         11.92464000
          5.63947330
          3.12001950
          1.52400000
  0.005140834700  0.002258003900  0.001108179000  0.000584415040  0.000300999970
  0.015060639000  0.006701833500  0.003309409100  0.001743610800  0.000898342970
  0.038395367000  0.017561207000  0.008665019600  0.004581869700  0.002360923600
  0.090087212000  0.042426272000  0.021205430000  0.011192976000  0.005771600100
  0.190681730000  0.094401481000  0.047165008000  0.025055354000  0.012923160000
  0.332421780000  0.174784670000  0.089587889000  0.047501818000  0.024537528000
  0.380609420000  0.215515610000  0.109448070000  0.058749882000  0.030351528000
  0.182234060000 -0.014876053000 -0.028747536000 -0.020274646000 -0.011095541000
 -0.010540639000 -0.508610100000 -0.460398610000 -0.281803480000 -0.151787960000
 -0.026812495000 -0.519597800000 -0.540391900000 -0.363348530000 -0.200880840000
  0.008097295100 -0.090270320000  0.494376120000  0.569282500000  0.364011600000
  0.024180952000  0.031626136000  0.778064360000  1.026737200000  0.701409950000
 -0.005563707700 -0.011327529000  0.136218660000 -0.521973680000 -0.582873040000
 -0.011930619000 -0.002736609800 -0.025372933000 -0.950939460000 -1.344597500000
  0.000701564170 -0.002059416400  0.007635557400 -0.127872920000  0.535826150000
  0.004252209700  0.003947807700 -0.001346105500  0.009643455800  1.008723200000
  0.000577616130  0.000136265220  0.000887035110 -0.001169573500  0.159981500000
   14    4
  1.6679554000e3  4.3254474000e2  1.1232144000e2 23.932966000000
      40720.00000000
       8954.00000000
       2867.00000000
       1108.40000000
        481.60000000
        226.30000000
        109.13000000
         56.12000000
         28.83000000
         15.39700000
          8.24000000
          4.42200000
          2.27900000
          1.05430000
  0.005292138100  0.002928630900  0.001568762700  0.000782223230
  0.028329450000  0.015786429000  0.008492192200  0.004273613600
  0.103233350000  0.059315375000  0.032100346000  0.016070641000
  0.261433420000  0.155543700000  0.085190032000  0.043077793000
  0.409130880000  0.253568150000  0.139936790000  0.070289538000
  0.315473130000  0.103595960000  0.037725231000  0.016900192000
  0.074001282000 -0.393841830000 -0.346774760000 -0.199652480000
 -0.011873306000 -0.555141850000 -0.483208930000 -0.269922540000
  0.001071496400 -0.186450860000  0.207494760000  0.199119260000
  0.005822115400 -0.001602825300  0.717842960000  0.691402000000
  0.002963348700 -0.000599747660  0.299426950000  0.080329645000
 -0.002587611900 -0.000575367790  0.022444424000 -0.735112600000
 -0.001428803600 -0.001607847100  0.000649550540 -0.474393450000
 -0.000223926910 -0.000085844848 -0.000317822470 -0.057554127000
   11    3
  3.4456712000e2 78.545372000000 12.039022000000
       1901.00000000
        579.00000000
        230.00000000
        103.50000000
         50.03000000
         24.67000000
         12.54000000
          6.30200000
          3.18100000
          1.53900000
          0.66430000
  0.015242372000  0.008886050900  0.004195201900
  0.092055934000  0.055224958000  0.026038414000
  0.281831330000  0.170742380000  0.081266367000
  0.444465420000  0.256221360000  0.118898300000
  0.306321520000  0.008237088700 -0.022934958000
  0.068687032000 -0.460805670000 -0.304891970000
 -0.000241263700 -0.487191110000 -0.262807360000
  0.000474788640 -0.137537570000  0.308428820000
  0.000649700600 -0.005030082200  0.574182240000
  0.000550688480 -0.000572673930  0.287404320000
  0.000040908352  0.000218865370  0.039023533000
    6    1
 45.214374000000
        304.30000000
        106.13000000
         45.17000000
         20.72000000
          9.74300000
          4.34100000
  0.023747322000
  0.130097610000
  0.332039610000
  0.442838570000
  0.283869510000
  0.058984333000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
FmQR(5L)-[Xe,4f,5d]
End of Spectral Representation Operator

/Md.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.23el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
MENDELEVIUM (14s,10p,11d,9f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f,5d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on MdQR(4K)
********************************************************************************
    23.0   4
* s-type functions
   14    2
   50468688.00000000
    2969624.93000000
     276997.60400000
      35006.82880000
       4841.46606000
        338.64779800
         61.61269640
         14.69424220
          4.60186223
          3.20648064
       8211.66279e-4
       3817.03787e-4
       8712.31627e-5
        336.20624e-4
 -0.000059093676  0.000016063780
 -0.000355555754  0.000096652198
 -0.001692394980  0.000460059575
 -0.007498279070  0.002038085380
 -0.026343141200  0.007159258700
  0.116908806000 -0.031793685400
 -0.379417282000  0.104132807000
  0.888205067000 -0.251603025000
 -0.575457352000  0.179349101000
 -0.828415786000  0.259678012000
  0.942646226000 -0.423028472000
  0.449296632000 -0.337859955000
  0.012143740600  0.670494727000
 -0.002621651430  0.547344278000
* p-type functions
   10    1
      10673.44810000
       2158.18088000
        611.59253600
         84.36180840
         17.19812700
          4.97954677
          3.36835160
       8019.52448e-4
       3612.67637e-4
          0.14470249
  0.000171719107
  0.014630443495
  0.042284868578
 -0.152214902258
  0.370083517443
 -0.265799904796
 -0.413334002186
  0.615040201610
  0.478080454248
  0.079834926293
* d-type functions
   11    1
       1253.35665000
        359.41886300
        131.31598900
         25.69081470
         13.95697420
          6.00686741
          3.14254814
       6514.79647e-4
       2685.06755e-4
       1062.64552e-4
       3980.44322e-5
 -0.001800893424
 -0.013907655713
 -0.032425205165
  0.071387892446
  0.052073065884
 -0.096309268174
 -0.161483816126
  0.263164994415
  0.421116648619
  0.392232276316
  0.173424869023
* f-type functions
    9    1
        397.33387100
        134.74436400
         55.10801730
         24.12730170
          5.31678665
          2.54263110
          1.19145020
       5322.46117e-4
       2133.17963e-4
 -0.004939651044
 -0.036654006850
 -0.113767459481
 -0.158537418447
  0.290598347839
  0.410754191476
  0.328391758435
  0.174489544307
  0.047713974919
* g-type functions
    3    1
          4.60600000
          1.60300000
          0.51070000
  0.566806856000
  0.507596880000
  0.205030089000
********************************************************************************
* Core AIMP: MdQR(4K)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  7.0361077700e5  1.7891139100e5  6.3368777900e4  2.4289919200e4  9.7464444300e3  3.9515980800e3  1.6763863000e3  7.9812941900e2  3.1055268900e2  1.5515845600e2 31.334564300000
 19.244523600000  6.377093260000  3.466671850000  1.731077390000
  0.038434467609  0.028679658783  0.043209498957  0.062140043478  0.081173808696  0.106607227826  0.182834529565  0.226307423913  0.184720423913  0.604833278261  0.961721460870
  0.135437044348  0.515610313043  0.206454064348  0.013141106304
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  1.0857001000e4  2.1220987000e3  5.5821148000e2  1.5347212000e2 36.968770000000
   17867413.00000000
    1732261.90000000
     300327.76000000
      70755.93500000
      20377.00200000
       6800.39400000
       2544.83670000
       1042.64170000
        453.20761000
        212.44005000
         91.28506700
         48.44926300
         21.91442000
         12.33764000
          5.86347330
          3.24101950
          1.58300000
  0.005237019000  0.002312835200  0.001136110800  0.000600193490  0.000310365060
  0.015294374000  0.006840709100  0.003380078200  0.001784021300  0.000922849180
  0.038569228000  0.017729643000  0.008756135500  0.004638144900  0.002399483800
  0.089861739000  0.042514656000  0.021261033000  0.011242109000  0.005820233200
  0.190084050000  0.094513454000  0.047262284000  0.025150426000  0.013024010000
  0.331652480000  0.174654820000  0.089508946000  0.047535945000  0.024653258000
  0.380754160000  0.215005560000  0.109114560000  0.058648992000  0.030415463000
  0.184949740000 -0.014006129000 -0.028698033000 -0.020345184000 -0.011186558000
 -0.009572513700 -0.506572970000 -0.458578610000 -0.281224700000 -0.152135500000
 -0.028005561000 -0.520515370000 -0.539822590000 -0.363257080000 -0.201618440000
  0.008483754700 -0.091403174000  0.488608840000  0.565532320000  0.363582180000
  0.024692086000  0.032379742000  0.781181000000  1.029348800000  0.706747710000
 -0.005543820800 -0.011632136000  0.138531870000 -0.521201260000 -0.590618660000
 -0.012445196000 -0.002822943700 -0.027209393000 -0.949928030000 -1.349649500000
  0.000840812660 -0.002106867000  0.008260593900 -0.128112970000  0.545150860000
  0.004344539500  0.004076291000 -0.001508698600  0.009356607400  1.008045400000
  0.000601717460  0.000141821420  0.000939026740 -0.001124101600  0.159220290000
   14    4
  1.7098033000e3  4.4494642000e2  1.1608808000e2 24.787001000000
      42760.00000000
       9391.00000000
       3003.00000000
       1159.30000000
        503.10000000
        236.10000000
        113.57000000
         58.35000000
         29.99000000
         16.01900000
          8.58200000
          4.60700000
          2.37200000
          1.09570000
  0.005215689000  0.002892487800  0.001553769100  0.000778132970
  0.027733430000  0.015483089000  0.008348799600  0.004219727400
  0.100984720000  0.058109839000  0.031530268000  0.015853420000
  0.256995880000  0.152973450000  0.083952532000  0.042633231000
  0.407046710000  0.252547090000  0.139757560000  0.070512457000
  0.321232480000  0.111337890000  0.042867329000  0.019673695000
  0.078376297000 -0.383920650000 -0.339405100000 -0.196451720000
 -0.012351900000 -0.559815170000 -0.490449460000 -0.275875250000
  0.001083053500 -0.193043190000  0.192296930000  0.189558960000
  0.005871419400 -0.002275313500  0.720615410000  0.698099640000
  0.003226457700 -0.000466265650  0.306966660000  0.091839608000
 -0.002710095100 -0.000634104950  0.023591713000 -0.736442640000
 -0.001470873700 -0.001657165200  0.000646160990 -0.478880750000
 -0.000237332420 -0.000093923589 -0.000317460420 -0.058368384000
   11    3
  3.5427482000e2 81.287847000000 12.506194000000
       1992.00000000
        606.10000000
        240.70000000
        108.30000000
         52.37000000
         25.83000000
         13.15000000
          6.63000000
          3.35100000
          1.62100000
          0.69880000
  0.014647938000  0.008570707400  0.004068230700
  0.088906174000  0.053533897000  0.025401299000
  0.275335600000  0.167424860000  0.080134915000
  0.442322950000  0.257288950000  0.120406170000
  0.313717490000  0.020554045000 -0.016464150000
  0.073392316000 -0.451799180000 -0.301822890000
 -0.000146530490 -0.494549550000 -0.273792500000
  0.000519374300 -0.144278720000  0.297007090000
  0.000628885760 -0.005899709300  0.577131470000
  0.000594528770 -0.000574586350  0.294827180000
  0.000041174715  0.000212929160  0.040955451000
    6    1
 47.220779000000
        315.10000000
        109.92000000
         46.81000000
         21.50000000
         10.12800000
          4.51800000
  0.023394647000
  0.128897070000
  0.330894010000
  0.443461920000
  0.284622250000
  0.058845287000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
MdQR(4K)-[Xe,4f,5d]
End of Spectral Representation Operator

/No.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.24el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
NOBELIUM (14s,10p,11d,9f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f,5d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on NoQR(3H)
********************************************************************************
    24.0   4
* s-type functions
   14    2
   55862222.30000000
    3273682.47000000
     302677.51100000
      37699.73290000
       5007.13864000
        348.69102400
         63.77703750
         15.22383030
          4.77328825
          3.32395882
       8544.96375e-4
       3959.10336e-4
          0.09031440
       3473.09277e-5
 -0.000059570885  0.000016124057
 -0.000357262015  0.000096699449
 -0.001693234950  0.000458315416
 -0.007514128210  0.002033598390
 -0.027204564600  0.007361520440
  0.117357997000 -0.031773819100
 -0.380904436000  0.104088442000
  0.894199551000 -0.252299212000
 -0.602492593000  0.187075532000
 -0.805374754000  0.251194171000
  0.943257465000 -0.420547666000
  0.448378613000 -0.337737521000
  0.012088734400  0.669514123000
 -0.002589345610  0.548033586000
* p-type functions
   10    1
      11037.74910000
       2225.12757000
        629.01145300
         86.63142890
         17.72665310
          5.32321809
          3.56237957
       8273.16428e-4
       3723.65614e-4
       1492.18069e-4
  0.000097626594
  0.014747233570
  0.042641307918
 -0.153262668873
  0.372845835031
 -0.230888214108
 -0.447110366866
  0.613078682027
  0.477456984866
  0.080903147525
* d-type functions
   11    1
       1285.39312000
        368.43953200
        134.64836900
         26.46027310
         14.46948900
          6.23678842
          3.26560845
       6661.69161e-4
       2707.15382e-4
       1054.03822e-4
       3878.80874e-5
 -0.001726948636
 -0.013468519712
 -0.031395013300
  0.068655823817
  0.050489331089
 -0.091853096765
 -0.155224892326
  0.255634450470
  0.415635943948
  0.400288015225
  0.186856862017
* f-type functions
    9    1
        411.18303500
        139.43383000
         57.05562050
         25.01509890
          5.53629202
          2.64961254
          1.24169396
       5548.38239e-4
          0.22261783
 -0.004929362210
 -0.036800908335
 -0.114865042082
 -0.160882635349
  0.294053737863
  0.411785217321
  0.326136495175
  0.171902598719
  0.046604336972
* g-type functions
    3    1
          4.79900000
          1.67400000
          0.53430000
  0.570379252000
  0.504809016000
  0.202541846000
********************************************************************************
* Core AIMP: NoQR(3H)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.4869477700e5  1.6933839100e5  6.1184877900e4  2.3946519200e4  9.7843444300e3  4.0210980800e3  1.7219383000e3  8.2216641900e2  3.2063268900e2  1.5973665600e2 32.213864300000
 19.641623600000  6.601393260000  3.591471850000  1.793290390000
  0.038773467750  0.028172480792  0.041843167500  0.059181511250  0.076783562500  0.101412220833  0.174274418333  0.216292236667  0.176474048333  0.580739916667  0.931020725000
  0.120005236667  0.495355095833  0.197151517083  0.012520394375
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  1.1136313000e4  2.1854013000e3  5.7624541000e2  1.5905205000e2 38.421193000000
   20177413.00000000
    1943261.90000000
     333527.76000000
      77935.93500000
      22297.00200000
       7391.39400000
       2748.83670000
       1124.24160000
        480.90761000
        223.54005000
         95.18506800
         50.54926300
         22.85442000
         12.90964000
          6.15047330
          3.40801950
          1.66500000
  0.005214236700  0.002315344400  0.001138296200  0.000602322640  0.000312669600
  0.015118144000  0.006793310100  0.003358325300  0.001775727500  0.000921979520
  0.037872248000  0.017487892000  0.008643463000  0.004585311400  0.002381466700
  0.087512075000  0.041542784000  0.020780921000  0.011008401000  0.005720028600
  0.184460060000  0.091998208000  0.046029191000  0.024527326000  0.012751946000
  0.324720110000  0.170740880000  0.087426840000  0.046510078000  0.024204923000
  0.382534300000  0.215940360000  0.109677320000  0.058988005000  0.030722007000
  0.198115210000  0.002140053600 -0.018525382000 -0.014436950000 -0.008129660800
 -0.004413227600 -0.494691500000 -0.445012480000 -0.273146110000 -0.148216540000
 -0.030662293000 -0.535366870000 -0.554370540000 -0.372095130000 -0.207298930000
  0.008617020900 -0.098314371000  0.465733400000  0.541843490000  0.350491420000
  0.025245050000  0.034823786000  0.793549940000  1.045274400000  0.719956370000
 -0.004886026000 -0.012458528000  0.144899970000 -0.491505390000 -0.564126330000
 -0.013354328000 -0.002569483100 -0.028425751000 -0.967717510000 -1.375543600000
  0.000854351260 -0.002541948200  0.008495969300 -0.135322160000  0.518507640000
  0.004479384500  0.004385506700 -0.001508155400  0.009885776600  1.024307600000
  0.000670388640  0.000146463330  0.000976692550 -0.001201698600  0.167403450000
   14    4
  1.7522990000e3  4.5755693000e2  1.1991639000e2 25.651915000000
      43990.00000000
       9621.00000000
       3070.00000000
       1183.50000000
        513.20000000
        240.80000000
        115.90000000
         59.55000000
         30.58000000
         16.36400000
          8.77000000
          4.72000000
          2.43200000
          1.12290000
  0.005293529000  0.002941880000  0.001584067900  0.000796835120
  0.028064002000  0.015703320000  0.008490602500  0.004307841300
  0.101870080000  0.058744448000  0.031952813000  0.016135758000
  0.258485050000  0.154139930000  0.084818200000  0.043240522000
  0.407684150000  0.253001090000  0.140258960000  0.071068275000
  0.319687240000  0.108354350000  0.040782120000  0.018525920000
  0.076961036000 -0.388045010000 -0.344415510000 -0.200251040000
 -0.012633038000 -0.558416620000 -0.488836480000 -0.276190080000
  0.001157456100 -0.190084520000  0.202346120000  0.199703640000
  0.006154561800 -0.001262296000  0.721854490000  0.705089960000
  0.003156399400 -0.000608195720  0.300033530000  0.073201637000
 -0.002799112600 -0.000659783600  0.022161759000 -0.741720560000
 -0.001490973800 -0.001691804900  0.000651739100 -0.469254600000
 -0.000234232640 -0.000088859386 -0.000315896390 -0.056082219000
   11    3
  3.6410998000e2 84.064059000000 12.977248000000
       2025.00000000
        615.90000000
        244.60000000
        110.10000000
         53.26000000
         26.30000000
         13.42000000
          6.78300000
          3.43200000
          1.66200000
          0.71620000
  0.014898790000  0.008754505800  0.004180567200
  0.090117333000  0.054481091000  0.025991192000
  0.277754500000  0.169566400000  0.081644483000
  0.443114800000  0.258061070000  0.121255900000
  0.310934890000  0.015305685000 -0.019854265000
  0.071489128000 -0.457374710000 -0.308243340000
 -0.000304993580 -0.490288450000 -0.269542270000
  0.000507485110 -0.140047970000  0.308970480000
  0.000673388830 -0.005633409200  0.574993970000
  0.000588709210 -0.000536782560  0.288194890000
  0.000042685815  0.000194087070  0.039448352000
    6    1
 49.252454000000
        326.10000000
        113.86000000
         48.55000000
         22.33000000
         10.53300000
          4.70200000
  0.023046446000
  0.127459770000
  0.329125300000
  0.444163080000
  0.286015970000
  0.058915331000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NoQR(3H)-[Xe,4f,5d]
End of Spectral Representation Operator

/Lr.CG-AIMP.Seijo.14s10p11d9f3g.2s1p1d1f1g.ECP.25el.
L. Seijo, Z. Barandiaran, E. Harguindey. J. Chem. Phys 114 (2001) 118-129. doi:10.1063/1.1330209
LAWRENCIUM (14s,10p,11d,9f,3g) -> [2s,1p,1d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f,5d]  6s5p5d4f1g recommended
*
* - spin-orbit basis set correction from
*   L. Seijo. J. Chem. Phys. 102 (1995) 8078-8088. doi:10.1063/1.469007
*
* valence basis set (14s10p11d9f) optimized in HF CG-AIMP calcn. on LrQR(2D)
********************************************************************************
    25.0   4
* s-type functions
   14    2
   62503247.20000000
    3638942.64000000
     332360.03700000
      40668.36190000
       5172.72205000
        359.00605400
         66.01698870
         15.76165060
          4.95153191
          3.42057356
       8942.62612e-4
       4142.57844e-4
       9438.27455e-5
       3628.55981e-5
 -0.000059519294  0.000016138983
 -0.000356622396  0.000096699233
 -0.001687368000  0.000457548999
 -0.007515948410  0.002037661510
 -0.028076839500  0.007610715820
  0.117554432000 -0.031871874500
 -0.381712883000  0.104473537000
  0.899940683000 -0.254431623000
 -0.639790751000  0.198896089000
 -0.774931687000  0.242338584000
  0.936776740000 -0.416369317000
  0.456769766000 -0.345595419000
  0.012621208200  0.671010946000
 -0.002699920840  0.548041755000
* p-type functions
   10    1
      11414.14150000
       2294.56296000
        647.05025300
         88.96062550
         18.25933340
          5.65695701
          3.74222237
       8509.73767e-4
       3817.75264e-4
       1525.37284e-4
  0.000017774217
  0.014859640169
  0.042998676523
 -0.154235383841
  0.375562003263
 -0.207320450547
 -0.469575541315
  0.614219737024
  0.475601321144
  0.079923106079
* d-type functions
   11    1
       1316.46677000
        377.16318200
        137.88576100
         27.45267890
         15.54370170
          6.28147751
          3.34737898
       6789.13566e-4
       2697.67059e-4
       1016.75562e-4
       3604.01146e-5
 -0.001570682750
 -0.012458398937
 -0.028987733473
  0.060835730698
  0.046629775199
 -0.085817668910
 -0.138037004558
  0.235546206845
  0.401275857053
  0.418371054873
  0.220039883991
* f-type functions
    9    1
        425.08515400
        144.16592800
         59.02646920
         25.91235590
          5.76302721
          2.76539042
          1.29965921
       5824.92432e-4
       2344.95676e-4
 -0.004943044835
 -0.036938218645
 -0.115910283064
 -0.163145828834
  0.296589561890
  0.411665840560
  0.324086498032
  0.170232640510
  0.045826719606
* g-type functions
    3    1
          4.99300000
          1.74600000
          0.55960000
  0.574096713000
  0.501937071000
  0.199428325000
********************************************************************************
* Core AIMP: LrQR(2D)-[Xe,4f,5d]  (14s10p11d9f)-OK
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.7716577700e5  1.7699239100e5  6.4008177900e4  2.5056319200e4  1.0232084400e4  4.2004480800e3  1.7921593000e3  8.5190441900e2  3.3200068900e2  1.6444935600e2 33.105864300000
 19.850123600000  6.815053260000  3.707731850000  1.853445390000
  0.037055599840  0.026864382400  0.039859081480  0.056392488000  0.073320083200  0.096908870000  0.166597460000  0.208928979600  0.169147366800  0.559021832000  0.903544900000
  0.105909255600  0.477474424000  0.187134944400  0.011840330440
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  1.1422036000e4  2.2504788000e3  5.9478244000e2  1.6479089000e2 39.919837000000
   20957413.00000000
    2013261.90000000
     344227.76000000
      80105.93500000
      22887.00200000
       7586.39400000
       2819.83670000
       1151.64170000
        494.00761000
        229.84005000
         97.76506800
         51.92926300
         23.44442000
         13.25864000
          6.30247330
          3.48401950
          1.70200000
  0.005460964800  0.002438587800  0.001199808000  0.000635902490  0.000331276930
  0.015671400000  0.007082355100  0.003503825700  0.001855762200  0.000967172480
  0.038980147000  0.018097762000  0.008951717700  0.004756554600  0.002478927900
  0.089268109000  0.042625513000  0.021340982000  0.011324155000  0.005907083400
  0.186144410000  0.093319966000  0.046720208000  0.024936953000  0.013008000000
  0.324992160000  0.171513740000  0.087879059000  0.046822183000  0.024466794000
  0.381348560000  0.214258590000  0.108555480000  0.058447873000  0.030518757000
  0.196896490000 -0.002606199900 -0.022013240000 -0.016558843000 -0.009247415400
 -0.005444860300 -0.495440480000 -0.446915490000 -0.274936110000 -0.149921700000
 -0.031066976000 -0.532376420000 -0.548408610000 -0.368458300000 -0.205803970000
  0.008976586500 -0.097305507000  0.471644400000  0.551513900000  0.358149650000
  0.025907895000  0.035446541000  0.789131440000  1.039105100000  0.720541450000
 -0.005387913300 -0.012875610000  0.142766170000 -0.507997040000 -0.591831540000
 -0.013603116000 -0.002717493400 -0.028848913000 -0.959313770000 -1.369088800000
  0.001101058500 -0.002388635600  0.008648604700 -0.130363430000  0.564177860000
  0.004537461100  0.004441449700 -0.001494333700  0.009909016200  1.002715800000
  0.000641250850  0.000126110560  0.000974703800 -0.001197125000  0.156361740000
   14    4
  1.7954560000e3  4.7038511000e2  1.2381381000e2 26.535041000000
      45550.00000000
       9941.00000000
       3170.00000000
       1221.90000000
        529.50000000
        248.20000000
        119.57000000
         61.42000000
         31.56000000
         16.88300000
          9.04700000
          4.87800000
          2.51400000
          1.16110000
  0.005319299900  0.002961522900  0.001598715300  0.000807463870
  0.028038089000  0.015725741000  0.008523294900  0.004340399800
  0.101318190000  0.058520409000  0.031910029000  0.016178035000
  0.256907970000  0.153418380000  0.084608953000  0.043293168000
  0.407065740000  0.252633030000  0.140357250000  0.071400845000
  0.321577690000  0.110887820000  0.042406781000  0.019394642000
  0.078227011000 -0.384102630000 -0.342016170000 -0.199728550000
 -0.012705993000 -0.560157600000 -0.492389310000 -0.279797910000
  0.000973076110 -0.192786970000  0.197550840000  0.198159830000
  0.006463953000 -0.001423692300  0.724798090000  0.712184470000
  0.003183729200 -0.000512051700  0.301077370000  0.071314936000
 -0.002861111000 -0.000737559800  0.022016106000 -0.743819450000
 -0.001541940700 -0.001724797800  0.000686488210 -0.467867880000
 -0.000238075580 -0.000094641707 -0.000321419700 -0.055970334000
   11    3
  3.7407897000e2 86.880586000000 13.459420000000
       2096.00000000
        636.80000000
        252.70000000
        113.70000000
         55.01000000
         27.18000000
         13.89000000
          7.03600000
          3.56500000
          1.72800000
          0.74520000
  0.014643679000  0.008637131100  0.004145928000
  0.088803080000  0.053881462000  0.025839255000
  0.275262490000  0.168663790000  0.081633162000
  0.442413080000  0.259011370000  0.122400880000
  0.313774650000  0.019792145000 -0.017676039000
  0.073265143000 -0.454890300000 -0.309245770000
 -0.000324517670 -0.492620460000 -0.273477900000
  0.000529064080 -0.141763850000  0.308058950000
  0.000679027390 -0.005940716000  0.575078430000
  0.000611980570 -0.000534004640  0.289534810000
  0.000043693132  0.000186095250  0.040046289000
    6    1
 51.315759000000
        339.20000000
        118.46000000
         50.53000000
         23.26000000
         10.98500000
          4.90700000
  0.022443963000
  0.125165380000
  0.326472470000
  0.444937350000
  0.288699810000
  0.059689115000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
LrQR(2D)-[Xe,4f,5d]
End of Spectral Representation Operator

********************************************************************************
*         C.1.3.2.b. Actinide Elements (core [Xe,4f])
********************************************************************************

/Th.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.22el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
THORIUM (14s,10p,12d,9f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f], [6s5p6d4f1g] recommended
*
* ThQR5I ThQR5I-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: ThQR5I-[Xe,4f]
* mv+dw from ThQR(5I)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  ThQR5I ThQR5I-[Xe,4f] (14s10p12d9f)
*     BkSOC: 2.5*Bk(3d,4d) rather than so-correct the basis set
********************************************************************************
    22.0   4
* s-type functions
   14    2
   17395501.40000000
    1089581.36000000
     114047.07400000
      16817.64780000
       3106.59748000
        243.21123000
         43.04516880
          9.94819231
          2.40901772
          1.54417764
       5096.12052e-4
       2397.72933e-4
       6272.79947e-5
       2631.61246e-5
  0.000055884385  0.000017397865
  0.000348261114  0.000108420411
  0.001729485540  0.000538420024
  0.007594328000  0.002364302940
  0.021797474200  0.006786131270
 -0.112724112000 -0.035140916000
  0.349283722000  0.109739357000
 -0.774966039000 -0.250621816000
  1.029411960000  0.371807881000
  0.307952345000  0.111944536000
 -0.952354103000 -0.512653557000
 -0.456915841000 -0.372879249000
 -0.012159323400  0.727802933000
  0.004337020430  0.531120351000
* p-type functions
   10    1
       7340.28679000
       1530.63547000
        444.29388400
         62.02119180
         12.02549590
          2.77509096
          1.69626209
       5458.56981e-4
       2605.06112e-4
       1106.37623e-4
  0.001969183550
  0.012782052800
  0.036659100100
 -0.133600274000
  0.322527970000
 -0.453740652000
 -0.223594464000
  0.569812357000
  0.514360821000
  0.109388356000
* d-type functions
   12    2
       1976.14093000
        569.96311200
        211.27086900
         88.19542330
         19.30437720
         10.00239430
          3.72288658
          1.95383868
       9379.18623e-4
       3756.74885e-4
       1415.79648e-4
       4987.82092e-5
  0.002056725060 -0.000506884700
  0.015941695400 -0.003912234680
  0.062708796800 -0.015482413400
  0.113541855000 -0.027747157700
 -0.245110924000  0.063809888300
 -0.239452060000  0.056518191500
  0.307910304000 -0.097561657600
  0.539303982000 -0.174851283000
  0.280630960000 -0.006310625530
  0.032110224800  0.348657113000
 -0.001933191320  0.529980568000
  0.000322505184  0.319519877000
* f-type functions
    9    1
        258.56462200
         87.39797460
         35.40105140
         15.16264560
          3.02122298
          1.33295796
       5599.87626e-4
       2150.52341e-4
       7332.51685e-5
 -0.004337680780
 -0.027387231900
 -0.078202296000
 -0.101939435000
  0.205953531000
  0.358983476000
  0.373670402000
  0.295249699000
  0.155881533000
* g-type functions
    3    1
          2.28200000
          0.63400000
          0.15680000
  0.509850012000
  0.561288429000
  0.334071114000
********************************************************************************
* Core AIMP: ThQR5I ThQR5I-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.0410979000e5  1.4748011000e5  5.0471431000e4  1.8859532000e4  7.4490835000e3  2.9624946000e3  1.2178286000e3  5.7109994000e2  2.1028359000e2  1.0898704000e2 23.147476000000
 14.084162000000  5.761694300000  3.511439600000  2.005724000000
  0.035471059091  0.027798079545  0.043085570455  0.063531063636  0.084237704545  0.109033904545  0.191100472727  0.235432322727  0.202761118182  0.591668727273  0.737991636364
  0.340657331818  0.244384227273  0.167212336364  0.016543513636
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  8.1513060000e3  1.5247005000e3  3.8773612000e2  1.0042902000e2 22.814994000000
    9867413.30000000
    1023261.90000000
     187427.76000000
      46335.93500000
      13957.00200000
       4843.39400000
       1869.83670000
        788.44165000
        334.30761000
        155.44005000
         64.92506700
         34.58926300
         15.52442000
          8.50063960
          3.91447330
          2.17501950
          1.06500000
  0.003645194300  0.001520224000  0.000737816040  0.000380924500  0.000185825950
  0.011546807000  0.004867644700  0.002382245500  0.001227762900  0.000597616340
  0.031681346000  0.013782932000  0.006720632600  0.003479121400  0.001699580900
  0.079937147000  0.035582689000  0.017616960000  0.009094335500  0.004426110100
  0.179556230000  0.084755116000  0.041848137000  0.021758561000  0.010647095000
  0.327166570000  0.165610640000  0.084318979000  0.043763562000  0.021313967000
  0.382863400000  0.225309670000  0.115310080000  0.060824089000  0.029942468000
  0.190518690000  0.025978413000  0.002836995800 -0.001391983800 -0.001320750600
  0.000319572890 -0.497480810000 -0.440000990000 -0.261576070000 -0.131900410000
 -0.023774599000 -0.551366720000 -0.585065580000 -0.384710650000 -0.201742990000
  0.006428751200 -0.100207430000  0.470000020000  0.517584420000  0.310878120000
  0.017314803000  0.030897550000  0.795470860000  1.032510800000  0.647718820000
 -0.002655888900 -0.011203758000  0.140254090000 -0.473707850000 -0.451562790000
 -0.009047175700  0.000443758520 -0.022565867000 -0.963754110000 -1.252439100000
 -0.000001397484 -0.003186418500  0.007286545900 -0.137829010000  0.295305250000
  0.003050112200  0.003507428700 -0.002101007300  0.010556303000  1.066322600000
  0.000599828720  0.000045530508  0.000924339790 -0.001376804200  0.218906040000
   14    4
  1.2834638000e3  3.1930550000e2 77.634483000000 15.648766000000
      27220.00000000
       6149.00000000
       2008.00000000
        788.10000000
        346.10000000
        163.70000000
         78.91000000
         40.46000000
         20.54000000
         10.80900000
          5.67900000
          2.98400000
          1.53200000
          0.71400000
  0.005420158600  0.002936145000  0.001524704000  0.000712238080
  0.030236180000  0.016473503000  0.008604931100  0.004069376500
  0.111320630000  0.062815705000  0.032984099000  0.015481483000
  0.277351880000  0.162850550000  0.086765939000  0.041228318000
  0.414528070000  0.255142630000  0.136866820000  0.064412435000
  0.293574710000  0.075396654000  0.020098137000  0.007802559500
  0.059901820000 -0.431616360000 -0.364761240000 -0.195284770000
 -0.009239179200 -0.537651020000 -0.446369250000 -0.229428930000
  0.001343064600 -0.159381790000  0.264009450000  0.213636120000
  0.004042242000 -0.000408702160  0.696837610000  0.606679110000
  0.002049490000 -0.001154563500  0.274331480000  0.071811334000
 -0.001746514900 -0.000022983782  0.019302759000 -0.688668850000
 -0.001040876100 -0.001256641100  0.000782051730 -0.487317060000
 -0.000175736390 -0.000046092259 -0.000371109820 -0.063277383000
   11    2
  6.3573000000e2  1.3184000000e2
       1874.00000000
        572.80000000
        226.20000000
        100.30000000
         47.55000000
         22.80000000
         11.17000000
          5.50500000
          2.65900000
          1.25200000
          0.53800000
  0.009311498400  0.005163126400
  0.060753647000  0.034578211000
  0.213727680000  0.123273410000
  0.414071860000  0.237406670000
  0.383431990000  0.126916400000
  0.124565360000 -0.333171410000
  0.004691986300 -0.549652300000
  0.000895246070 -0.239516220000
 -0.000065931272 -0.022265784000
  0.000769001180  0.000025112792
  0.000031893081  0.000248306080
    6    1
 26.352468000000
        207.70000000
         71.89000000
         30.24000000
         13.61000000
          6.23000000
          2.70600000
  0.028065035000
  0.144866030000
  0.345646210000
  0.435057000000
  0.276459890000
  0.061991674000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
ThQR(5I)-[Xe,4f,5d]
End of Spectral Representation Operator

/Pa.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.23el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
PROTACTINIUM (14s,10p,12d,9f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f], [6s5p6d4f1g] recommended
*
* PaQR6L PaQR6L-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: PaQR6L-[Xe,4f]
* mv+dw from PaQR(6L)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  PaQR6L PaQR6L-[Xe,4f] (14s10p12d9f)
*     BkSOC: 0.92*Bk(3d,4d),0.68*Bk(4f) rather than so-correct the basis set
********************************************************************************
    23.0   4
* s-type functions
   14    2
   19024992.90000000
    1184505.76000000
     122713.47800000
      17876.34380000
       3241.59613000
        250.79176300
         44.48250690
         10.33641410
          2.51813521
          1.54219450
       5310.90935e-4
       2439.81084e-4
        551.57319e-4
       2313.57092e-5
  0.000056044370  0.000016047874
  0.000347897646  0.000099617846
  0.001719947080  0.000492492159
  0.007547185930  0.002161080260
  0.021933168200  0.006280039340
 -0.112474490000 -0.032240963900
  0.350072202000  0.101104195000
 -0.778195057000 -0.231037226000
  1.063983170000  0.351184678000
  0.264488182000  0.085373421300
 -0.936084468000 -0.442124837000
 -0.466680373000 -0.346954883000
 -0.012892115000  0.701421696000
  0.002756358000  0.515845158000
* p-type functions
   10    1
       7591.01844000
       1579.34230000
        457.69963300
         63.83845970
         12.46030600
          2.91092835
          1.84597056
       5463.81969e-4
       2533.61811e-4
       1069.21195e-4
  0.001969076000
  0.012754232500
  0.036589934200
 -0.133336140000
  0.321419069000
 -0.438945343000
 -0.216836495000
  0.583813931000
  0.498474398000
  0.099751697000
* d-type functions
   12    2
       2024.75438000
        583.87466300
        216.64572000
         90.61949590
         20.01578230
         10.50463040
          3.79306569
          2.00278272
       9663.71339e-4
          0.38990772
       1428.50661e-4
       4844.22991e-5
  0.002118006140 -0.000508531864
  0.016386145700 -0.003922082690
  0.064122298900 -0.015417302500
  0.115945026000 -0.027657370800
 -0.244671407000  0.061750291600
 -0.242865397000  0.055587177700
  0.328426823000 -0.101901652000
  0.528905486000 -0.163620703000
  0.269164711000  0.000639038735
  0.032090676700  0.334888527000
 -0.001375974390  0.524130780000
  0.000162849804  0.349513280000
* f-type functions
    9    1
        267.87777200
         90.62024670
         36.80945870
         15.85230300
          3.21814956
          1.43418861
          0.60723578
       2329.66584e-4
       7715.38392e-5
 -0.004591613980
 -0.029071410800
 -0.082985010900
 -0.108200414000
  0.215946432000
  0.370911820000
  0.372917275000
  0.277550823000
  0.144266943000
* g-type functions
    3    1
          2.46100000
          0.69500000
          0.17000000
  0.525977024000
  0.558331036000
  0.312100133000
********************************************************************************
* Core AIMP: PaQR6L PaQR6L-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.2394049000e5  1.5143125000e5  5.1609141000e4  1.9233692000e4  7.5878885000e3  3.0163386000e3  1.2431536000e3  5.8453224000e2  2.1543519000e2  1.1230701000e2 23.683346000000
 13.929714000000  5.492575300000  3.175047700000  1.658673400000
  0.034023105652  0.026807044348  0.041561107391  0.061142747826  0.080805226087  0.104865452174  0.183821317391  0.223686013043  0.194465743478  0.564854391304  0.740436043478
  0.304901926087  0.279128565217  0.112031943478  0.003991117913
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  8.3722087000e3  1.5721793000e3  4.0109115000e2  1.0442115000e2 23.711377000000
   10017413.00000000
    1032261.90000000
     188127.76000000
      46375.93500000
      13947.00200000
       4836.39400000
       1866.83670000
        786.24165000
        339.10761000
        158.64005000
         67.13506800
         35.73926300
         16.19442000
          8.87563960
          4.12747330
          2.27901950
          1.10600000
  0.003853659500  0.001614935000  0.000784919160  0.000406168540  0.000199496310
  0.012148553000  0.005152755500  0.002524040900  0.001304403400  0.000639291480
  0.033144818000  0.014491479000  0.007078610500  0.003672381200  0.001806305100
  0.082988844000  0.037213867000  0.018442600000  0.009548214800  0.004678962400
  0.184811230000  0.087738176000  0.043411094000  0.022620068000  0.011145514000
  0.332270050000  0.169633290000  0.086475778000  0.045022224000  0.022076515000
  0.380749320000  0.223489450000  0.114437460000  0.060464056000  0.029981269000
  0.181295730000  0.011809086000 -0.006770922300 -0.006760138200 -0.004064368800
 -0.003325004400 -0.503536490000 -0.447651800000 -0.267416020000 -0.135827230000
 -0.023202571000 -0.540318490000 -0.574354590000 -0.378982140000 -0.200447380000
  0.006275183900 -0.096859972000  0.473525450000  0.521598320000  0.316087690000
  0.018196946000  0.029624260000  0.792974250000  1.035358400000  0.655251040000
 -0.002903465500 -0.010421234000  0.141380810000 -0.462428220000 -0.445105070000
 -0.009288753400 -0.000383634730 -0.021849011000 -0.973037240000 -1.278607300000
 -0.000119341490 -0.002875523000  0.006879654000 -0.141899620000  0.296419550000
  0.003243941400  0.003402334700 -0.001761752900  0.009859620800  1.077563600000
  0.000602550320  0.000101234890  0.000868478840 -0.001298721700  0.215637260000
   14    4
  1.3189591000e3  3.2949948000e2 80.590495000000 16.183663000000
      27530.00000000
       6219.00000000
       2029.00000000
        795.20000000
        348.80000000
        164.90000000
         79.63000000
         40.82000000
         20.65000000
         10.87600000
          5.69200000
          3.01300000
          1.54300000
          0.70600000
  0.005618521800  0.003050885800  0.001588686300  0.000748591030
  0.031131828000  0.017008638000  0.008919649400  0.004248210600
  0.114124400000  0.064580905000  0.034016300000  0.016100854000
  0.282513480000  0.166388020000  0.089017466000  0.042606924000
  0.416502490000  0.256281510000  0.137715050000  0.065358360000
  0.287200600000  0.064433326000  0.012786853000  0.003989614800
  0.055341501000 -0.445226450000 -0.378895090000 -0.204484570000
 -0.009232804200 -0.530405810000 -0.435959810000 -0.225393900000
  0.001454653000 -0.149891020000  0.295331450000  0.240244550000
  0.004395616800  0.001315455600  0.696400170000  0.616623130000
  0.001782099400 -0.001386023900  0.253289340000  0.024223836000
 -0.001831697800 -0.000060226157  0.014850584000 -0.709523530000
 -0.001030019000 -0.001253954100  0.000941381760 -0.456924580000
 -0.000152261100 -0.000028850940 -0.000369901370 -0.053557189000
   11    2
  2.4149000000e2 50.510000000000
       1869.00000000
        571.30000000
        225.60000000
        100.00000000
         47.41000000
         22.67000000
         11.12000000
          5.47400000
          2.66300000
          1.25100000
          0.52860000
  0.009889599800  0.005503370800
  0.063915405000  0.036641010000
  0.222076170000  0.128688180000
  0.420870120000  0.242175770000
  0.375333560000  0.112360510000
  0.115130340000 -0.358043400000
  0.002966889700 -0.545521520000
  0.001026075200 -0.218613740000
 -0.000057681178 -0.017256341000
  0.000763559970 -0.000229032070
  0.000019740353  0.000268311070
    6    1
 18.900000000000
        217.30000000
         75.28000000
         31.71000000
         14.30000000
          6.56400000
          2.85700000
  0.027344398000
  0.142439610000
  0.343474710000
  0.436517410000
  0.278033510000
  0.061587542000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PaQR(6L)-[Xe,4f,5d]
End of Spectral Representation Operator

/U.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.24el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
URANIUM (14s,10p,12d,9f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f], [6s5p6d4f1g] recommended
*
* UQR5K UQR5K-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: UQR5K-[Xe,4f]
* mv+dw from UQR(5K)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  UQR5K UQR5K-[Xe,4f] (14s10p12d9f)
*     BkSOC: 2.0*Bk(3d,4d) rather than so-correct the basis set
********************************************************************************
    24.0   4
* s-type functions
   14    2
   20939315.10000000
    1294673.90000000
     132564.63600000
      19043.07870000
       3383.97139000
        258.54406500
         45.96595890
         10.72203870
          2.67387564
          1.73770602
       5663.12064e-4
       2690.93999e-4
       6650.71452e-5
        265.60343e-4
  0.000057499782  0.000017083332
  0.000355844944  0.000105722525
  0.001753338670  0.000520919871
  0.007699279670  0.002287499310
  0.022682462400  0.006738913200
 -0.115319509000 -0.034308203300
  0.360606271000  0.108154523000
 -0.806346115000 -0.249039075000
  1.048461980000  0.360411391000
  0.315695227000  0.110239027000
 -0.953697047000 -0.485967254000
 -0.456837396000 -0.352411223000
 -0.012837233700  0.694023805000
  0.002607223840  0.545704166000
* p-type functions
   10    1
       7869.84667000
       1631.96492000
        471.65814600
         65.73569380
         12.87210610
          3.22923038
          2.20120798
       5631.86106e-4
       2589.40795e-4
       1048.54144e-4
  0.002051067080
  0.013284145200
  0.038185283900
 -0.138948800000
  0.336932199000
 -0.340937520000
 -0.330575072000
  0.637132711000
  0.467890406000
  0.071014121200
* d-type functions
   12    2
       2089.09854000
        601.85344600
        223.20204500
         93.35564480
         20.61004950
         10.81226300
          4.03968609
          2.15728186
          1.05771947
       4464.26427e-4
       1749.14346e-4
       6193.62977e-5
  0.002135718820 -0.000586582480
  0.016517981400 -0.004515029510
  0.064878813800 -0.017854730000
  0.117398436000 -0.031940574700
 -0.251822085000  0.073369086900
 -0.245769201000  0.064597318600
  0.317081962000 -0.115488384000
  0.530028589000 -0.190202289000
  0.277090363000 -0.009851570060
  0.035504600900  0.366775412000
 -0.001260547180  0.532678129000
  0.000271465373  0.293300182000
* f-type functions
    9    1
        281.71407400
         95.19198950
         38.57643990
         16.59474280
          3.50999234
          1.66931381
          0.77505487
       3365.30467e-4
       1286.12045e-4
 -0.005088624590
 -0.032754605200
 -0.095300575800
 -0.124758053000
  0.227999083000
  0.373783620000
  0.365743459000
  0.240316121000
  0.084323746300
* g-type functions
    3    1
          2.94000000
          0.97000000
          0.29000000
  0.505666652000
  0.548559007000
  0.265006284000
********************************************************************************
* Core AIMP: UQR5K UQR5K-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.6335919000e5  1.5965185000e5  5.3738621000e4  1.9865472000e4  7.7923005000e3  3.0856566000e3  1.2719329000e3  5.9914854000e2  2.2127889000e2  1.1580457000e2 24.310896000000
 13.992262000000  5.503184300000  3.076137700000  1.247660800000
  0.032173711250  0.025773360417  0.040044046250  0.058942279167  0.077828495833  0.101162158333  0.177061958333  0.213149845833  0.186099916667  0.541137958333  0.731924416667
  0.276823929167  0.284300612500  0.086149350000  0.000761293125
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  8.5982468000e3  1.6214568000e3  4.1543153000e2  1.0916123000e2 25.278806000000
   10227413.00000000
    1048261.90000000
     190527.76000000
      46825.93500000
      14047.00200000
       4862.39400000
       1873.83670000
        785.94165000
        342.80761000
        161.14005000
         68.91506800
         36.58926300
         16.62442000
          9.12563960
          4.24147330
          2.35901950
          1.15400000
  0.004060309600  0.001710120400  0.000832275140  0.000431776090  0.000213577540
  0.012704755000  0.005419872400  0.002657579000  0.001376646700  0.000680042230
  0.034415457000  0.015125581000  0.007399427700  0.003849195200  0.001906125200
  0.085590601000  0.038637655000  0.019169874000  0.009947530500  0.004914607900
  0.189186820000  0.090335778000  0.044772627000  0.023396728000  0.011604042000
  0.336457220000  0.172973900000  0.088294541000  0.046068545000  0.022783024000
  0.379354660000  0.221970560000  0.113629910000  0.060224401000  0.030029792000
  0.173776840000 -0.002300471500 -0.016497706000 -0.012451654000 -0.006878979200
 -0.007013483800 -0.512236020000 -0.458501910000 -0.274920860000 -0.141036730000
 -0.022562110000 -0.527468320000 -0.560588510000 -0.372075280000 -0.198139930000
  0.006483211900 -0.091427328000  0.490157870000  0.542437360000  0.330693760000
  0.018925440000  0.028127979000  0.784183680000  1.027443500000  0.658923530000
 -0.003539934800 -0.009807473300  0.136746180000 -0.485964450000 -0.478064300000
 -0.009368063600 -0.001115367100 -0.021301141000 -0.962656950000 -1.282381300000
 -0.000051722930 -0.002509405800  0.006664836200 -0.136740260000  0.341135550000
  0.003376798000  0.003346782300 -0.001634987300  0.010149549000  1.063104800000
  0.000584884400  0.000122392440  0.000852868730 -0.001287857200  0.205727850000
   14    4
  1.3556493000e3  3.4052315000e2 84.243073000000 17.357942000000
      29900.00000000
       6708.00000000
       2180.00000000
        852.80000000
        373.60000000
        176.40000000
         85.16000000
         43.74000000
         22.32000000
         11.79300000
          6.23800000
          3.29600000
          1.69700000
          0.79400000
  0.005300549900  0.002883221900  0.001507854500  0.000716524190
  0.029401962000  0.016094734000  0.008460455800  0.004067903400
  0.108316060000  0.061317902000  0.032416035000  0.015475282000
  0.271797560000  0.159984080000  0.085740822000  0.041421424000
  0.413059040000  0.254629150000  0.137524990000  0.065848409000
  0.300815010000  0.086039154000  0.026830506000  0.011203187000
  0.064422132000 -0.417049510000 -0.355206790000 -0.193811800000
 -0.009584347000 -0.544374960000 -0.459347990000 -0.241619700000
  0.001105746700 -0.170032290000  0.237164870000  0.200812500000
  0.004392488200 -0.001468033900  0.701823340000  0.625567710000
  0.002302771100 -0.000960204940  0.289449820000  0.094112445000
 -0.001873623600 -0.000117049390  0.021979209000 -0.695426290000
 -0.001145473000 -0.001340346100  0.000696400950 -0.494368390000
 -0.000193595470 -0.000061558096 -0.000349524620 -0.065596069000
   11    2
  5.4289000000e2  1.1550000000e2
       1863.00000000
        568.80000000
        224.50000000
         99.50000000
         47.19000000
         22.53000000
         11.05000000
          5.41200000
          2.66100000
          1.26500000
          0.54820000
  0.010514627000  0.005876841700
  0.067457344000  0.038928705000
  0.231145730000  0.134614850000
  0.427491280000  0.246544650000
  0.365964610000  0.096270624000
  0.105678450000 -0.383243060000
  0.001606367300 -0.540231510000
  0.001095562700 -0.197420500000
 -0.000025615921 -0.012193954000
  0.000757241600 -0.000588634260
  0.000005932262  0.000349589680
    6    1
 30.030355000000
        226.70000000
         78.62000000
         33.17000000
         15.00000000
          6.91200000
          3.02300000
  0.026753150000
  0.140410060000
  0.341432410000
  0.437106540000
  0.279505740000
  0.061653028000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
UQR(5K)-[Xe,4f,5d]
End of Spectral Representation Operator

/Np.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.25el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
NEPTUNIUM (14s,10p,12d,9f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f], [6s5p6d4f1g] recommended
*
* NpQR6L NpQR6L-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: NpQR6L-[Xe,4f]
* mv+dw from NpQR(6L)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  NpQR6L NpQR6L-[Xe,4f] (14s10p12d9f)
*     BkSOC: 1.7*Bk(3d,4d) rather than so-correct the basis set
********************************************************************************
    25.0   4
* s-type functions
   14    2
   22892794.40000000
    1407683.52000000
     142738.13700000
      20254.35420000
       3528.56104000
        266.53470100
         47.47959480
         11.12518380
          2.79576142
          1.76488880
       5989.72065e-4
       2832.45567e-4
       6811.81554e-5
       2710.22585e-5
  0.000058129431  0.000016974458
  0.000358345731  0.000104641062
  0.001757443990  0.000513192316
  0.007712571970  0.002252153900
  0.023019776200  0.006721559610
 -0.115998306000 -0.033914057000
  0.364495646000  0.107448871000
 -0.817813442000 -0.248312829000
  1.083638980000  0.365968226000
  0.294419119000  0.100850584000
 -0.949320451000 -0.469678101000
 -0.467172354000 -0.355120029000
 -0.013085814100  0.687616069000
  0.002764458910  0.546065812000
* p-type functions
   10    1
       8121.01169000
       1680.75338000
        485.27800400
         67.66906000
         13.30202560
          3.51938703
          2.41622588
       5862.46957e-4
       2696.20806e-4
          0.10974532
  0.002090341250
  0.013495517600
  0.038730292100
 -0.140850974000
  0.342452728000
 -0.274612545000
 -0.397210149000
  0.636535084000
  0.464600787000
  0.072217254200
* d-type functions
   12    2
       2160.69803000
        621.65088100
        230.27593600
         96.22831490
         21.19114780
         11.12405270
          4.23483985
          2.25746433
          1.10601728
       4669.21791e-4
       1830.40493e-4
        648.26996e-4
  0.002147292450 -0.000597414822
  0.016645064500 -0.004607705090
  0.065665295500 -0.018306347500
  0.119466014000 -0.032914201500
 -0.258115999000  0.076240810200
 -0.247351920000  0.065726338700
  0.320264127000 -0.118590823000
  0.533382433000 -0.194618752000
  0.273789002000 -0.004306707300
  0.034613454000  0.373901672000
 -0.001205489010  0.529694217000
  0.000217200200  0.287273342000
* f-type functions
    9    1
        292.77256000
         99.01686020
         40.20015640
         17.35033360
          3.72000074
          1.79293394
       8460.87618e-4
       3728.38672e-4
       1442.31715e-4
 -0.005229919930
 -0.033825413100
 -0.098957402000
 -0.130121944000
  0.234379424000
  0.375067349000
  0.360097821000
  0.232757951000
  0.079196026400
* g-type functions
    3    1
          3.11400000
          1.03700000
          0.31660000
  0.520328179000
  0.541046199000
  0.247958041000
********************************************************************************
* Core AIMP: NpQR6L NpQR6L-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.9190849000e5  1.6666166000e5  5.6099341000e4  2.0706382000e4  8.0911065000e3  3.1972066000e3  1.3178454000e3  6.2009574000e2  2.2945129000e2  1.1958440000e2 25.033406000000
 14.294420000000  5.663636300000  3.145617700000  1.126472400000
  0.030761370800  0.024617997200  0.038254016000  0.056456080000  0.074802140000  0.096953484000  0.169309648000  0.205289740000  0.177184580000  0.521795640000  0.714230720000
  0.256638836000  0.276697640000  0.076594040000  0.000414030560
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  8.8286069000e3  1.6715921000e3  4.2973920000e2  1.1362166000e2 26.480928000000
   10427413.00000000
    1066261.90000000
     193227.76000000
      47285.93500000
      14147.00200000
       4888.39400000
       1880.83670000
        783.74165000
        346.80761000
        163.94005000
         70.67506700
         37.52926300
         17.16442000
          9.43863960
          4.41147330
          2.45001950
          1.19800000
  0.004277451200  0.001810647600  0.000882245830  0.000458736380  0.000228318190
  0.013261585000  0.005690880300  0.002793552400  0.001450662400  0.000721299270
  0.035731234000  0.015783586000  0.007731285300  0.004030788000  0.002008159100
  0.088285030000  0.040129576000  0.019935731000  0.010371534000  0.005158325000
  0.193624240000  0.092964025000  0.046140354000  0.024166028000  0.012057444000
  0.340462280000  0.176308290000  0.090137851000  0.047154886000  0.023479935000
  0.377941000000  0.219904950000  0.112409010000  0.059679753000  0.029922429000
  0.166520060000 -0.016700582000 -0.026485752000 -0.018214666000 -0.009832500400
 -0.011100523000 -0.518852350000 -0.467747040000 -0.281728940000 -0.145668010000
 -0.021611416000 -0.515358120000 -0.546346630000 -0.364017500000 -0.195144970000
  0.006417491100 -0.087189063000  0.504005160000  0.559886380000  0.343774310000
  0.019831060000  0.027445476000  0.774696510000  1.019545300000  0.660548460000
 -0.004173047600 -0.009541326800  0.134097110000 -0.496106080000 -0.495049940000
 -0.009419089000 -0.001624509800 -0.020747216000 -0.959256600000 -1.293401700000
 -0.000106433530 -0.002291390500  0.006405634200 -0.135592310000  0.366463720000
  0.003557758400  0.003329695500 -0.001422244500  0.009780731400  1.059543400000
  0.000569997860  0.000144148740  0.000822409670 -0.001230716300  0.198805710000
   14    4
  1.3925649000e3  3.5135275000e2 87.566204000000 18.161780000000
      31280.00000000
       7021.00000000
       2281.00000000
        890.60000000
        389.50000000
        183.80000000
         88.61000000
         45.51000000
         23.25000000
         12.29800000
          6.52000000
          3.44600000
          1.77400000
          0.82810000
  0.005244216300  0.002859115400  0.001500477800  0.000718263760
  0.028828677000  0.015813643000  0.008337336500  0.004039029100
  0.106175120000  0.060203984000  0.031931432000  0.015355950000
  0.268204600000  0.157985460000  0.084895066000  0.041319589000
  0.411781790000  0.254159250000  0.137746710000  0.066447270000
  0.305582630000  0.092783333000  0.031170033000  0.013466912000
  0.067898401000 -0.408509400000 -0.349381730000 -0.192325340000
 -0.010074879000 -0.548783950000 -0.466592230000 -0.247903960000
  0.001187310000 -0.175808050000  0.223843640000  0.193891570000
  0.004426338800 -0.001957548400  0.704696760000  0.635192140000
  0.002518911300 -0.000877968630  0.296267380000  0.102338450000
 -0.001994017900 -0.000167647280  0.023084489000 -0.700718790000
 -0.001173524900 -0.001379756800  0.000631999450 -0.495484140000
 -0.000203016010 -0.000066187224 -0.000335520080 -0.065080681000
   11    2
  4.7625000000e2  1.0241000000e2
       1849.00000000
        564.30000000
        222.80000000
         98.90000000
         47.03000000
         22.51000000
         11.09000000
          5.44600000
          2.70300000
          1.29400000
          0.56220000
  0.011255867000  0.006322336000
  0.071535568000  0.041535364000
  0.240778590000  0.140947200000
  0.432668020000  0.249762910000
  0.355153320000  0.079764936000
  0.097401047000 -0.402323750000
  0.000802027080 -0.531328220000
  0.001080928200 -0.182779770000
  0.000036141001 -0.009893846900
  0.000735578910 -0.000673382530
  0.000006931288  0.000346030050
    6    1
 31.847675000000
        235.50000000
         81.71000000
         34.51000000
         15.64000000
          7.23200000
          3.17500000
  0.026392679000
  0.139373500000
  0.340785460000
  0.437783750000
  0.279282600000
  0.060890839000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NpQR(6L)-[Xe,4f,5d]
End of Spectral Representation Operator

/Pu.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.26el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
PLUTONIUM (14s,10p,12d,9f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f], [6s5p6d4f1g] recommended
*
* PuQR7K PuQR7K-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: PuQR7K-[Xe,4f]
* mv+dw from PuQR(7K)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  PuQR7K PuQR7K-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),2.0*Bk(4f) rather than so-correct the basis set
********************************************************************************
    26.0   4
* s-type functions
   14    2
   25132969.80000000
    1536155.78000000
     154095.09400000
      21572.49420000
       3678.66053000
        274.62826000
         49.02732400
         11.53639380
          2.93097619
          1.83586476
       6282.35769e-4
       2958.07666e-4
       6987.45811e-5
       2769.44635e-5
  0.000058573502  0.000016766869
  0.000359923434  0.000103029701
  0.001758610390  0.000503406140
  0.007719240090  0.002209799530
  0.023352207300  0.006685955080
 -0.116546259000 -0.033450757400
  0.367992726000  0.106565035000
 -0.828597409000 -0.247349179000
  1.096654910000  0.364194486000
  0.289537377000  0.097514167600
 -0.947355921000 -0.458044731000
 -0.470212395000 -0.354509238000
 -0.012924025400  0.683624446000
  0.002768174740  0.545716150000
* p-type functions
   10    1
       8411.08378000
       1735.97097000
        499.92775400
         69.61595590
         13.76208210
          3.57605351
          2.45289229
       6179.46221e-4
          0.28487568
       1164.55236e-4
  0.002117071730
  0.013654643600
  0.039260056100
 -0.142616538000
  0.346407755000
 -0.323000357000
 -0.352542594000
  0.625814005000
  0.472490164000
  0.077449621100
* d-type functions
   12    2
       2224.01828000
        639.37558800
        236.77421100
         98.97154750
         21.85695840
         11.54521070
          4.36391090
          2.32368057
          1.13808057
       4778.39422e-4
       1866.98166e-4
       6592.89684e-5
  0.002170362070 -0.000599506934
  0.016814789700 -0.004620213700
  0.066425458400 -0.018388379900
  0.120892420000 -0.033052285300
 -0.261337989000  0.076943313000
 -0.248766215000  0.065444045700
  0.333624805000 -0.123193441000
  0.532163220000 -0.193408843000
  0.263997534000  0.006114925100
  0.032144302800  0.379783665000
 -0.001105551140  0.524917926000
  0.000239757304  0.283683786000
* f-type functions
    9    1
        303.99333500
        102.92155400
         41.87328280
         18.13401720
          3.91249565
          1.88700359
       8930.85827e-4
       3966.69785e-4
       1552.84854e-4
 -0.005344221230
 -0.034699687300
 -0.102013428000
 -0.134880312000
  0.243946884000
  0.382787959000
  0.354804862000
  0.220325096000
  0.071292506800
* g-type functions
    3    1
          3.30700000
          1.11800000
          0.34630000
  0.527157085000
  0.535233332000
  0.238826514000
********************************************************************************
* Core AIMP: PuQR7K PuQR7K-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.0644169000e5  1.4900456000e5  5.1336201000e4  1.9246252000e4  7.5957375000e3  3.0248486000e3  1.2765874000e3  6.1456864000e2  2.3036189000e2  1.2284359000e2 25.724536000000
 14.545931000000  5.898070300000  3.349945600000  1.584798100000
  0.032072411538  0.024928883077  0.038284911923  0.055886311538  0.072882388462  0.095805676923  0.166638730769  0.187908584615  0.171518876923  0.496342461538  0.700316923077
  0.234268300000  0.261774357692  0.075595100000  0.001160688077
M2
  0
COREREP
 1.0
PROJOP
    3
   18    5
  9.0637620000e3  1.7229843000e3  4.4439986000e2  1.1818164000e2 27.697349000000
   10657413.00000000
    1083261.90000000
     195727.76000000
      47865.93500000
      14287.00200000
       4922.39400000
       1887.83670000
        780.64165000
        350.80761000
        167.14005000
         72.26506800
         38.49926300
         17.48442000
          9.75363960
          4.43547330
          2.65401950
          1.42200000
          0.60200000
  0.004504518100  0.001916427500  0.000934776490  0.000487238670  0.000243797330
  0.013879186000  0.005991485600  0.002944693900  0.001532186800  0.000767026670
  0.037041381000  0.016446410000  0.008064367500  0.004215836300  0.002110263200
  0.090738977000  0.041526987000  0.020660736000  0.010768181000  0.005395124100
  0.197817740000  0.095484246000  0.047441226000  0.024921423000  0.012486496000
  0.344640850000  0.179717420000  0.092047235000  0.048226188000  0.024211347000
  0.376772490000  0.217656650000  0.110953190000  0.059114612000  0.029682725000
  0.159198150000 -0.032086020000 -0.037110426000 -0.024673036000 -0.012938145000
 -0.015030383000 -0.522957370000 -0.475499130000 -0.287089250000 -0.150038510000
 -0.020685731000 -0.503656890000 -0.530252840000 -0.355380760000 -0.190796100000
  0.006374957500 -0.084749136000  0.515951620000  0.579874030000  0.356818570000
  0.020676803000  0.028177362000  0.765210290000  1.002036600000  0.658265260000
 -0.004938365500 -0.010519129000  0.134077690000 -0.508966110000 -0.527527980000
 -0.009212801100 -0.000827389990 -0.024653281000 -0.947499520000 -1.268987100000
 -0.000574978150 -0.003652745900  0.009699839400 -0.145365570000  0.356883480000
  0.003904155400  0.004732904000 -0.004612247100  0.023979388000  0.989158040000
  0.000644303070 -0.000328223290  0.002174614100 -0.005395516700  0.269647360000
  0.000058963164  0.000157355510 -0.000246423960  0.000763808800  0.006908054600
   14    4
  1.4300691000e3  3.6236396000e2 90.934649000000 18.964182000000
      32190.00000000
       7201.00000000
       2334.00000000
        911.30000000
        398.80000000
        188.20000000
         90.80000000
         46.66000000
         23.85000000
         12.64300000
          6.71300000
          3.56600000
          1.83900000
          0.85790000
  0.005315266600  0.002904419400  0.001528873900  0.000737191950
  0.029163969000  0.016036738000  0.008482623600  0.004136273200
  0.107040690000  0.060835799000  0.032366737000  0.015676586000
  0.268914320000  0.158717120000  0.085564656000  0.041922885000
  0.411682260000  0.254237130000  0.138139960000  0.067111912000
  0.304830350000  0.091019006000  0.029915895000  0.012805803000
  0.067104172000 -0.410715710000 -0.352961520000 -0.195767260000
 -0.010232762000 -0.547520340000 -0.465994520000 -0.249520990000
  0.001165992800 -0.174509950000  0.228974630000  0.200534180000
  0.004686194400 -0.001458978600  0.705932560000  0.644120680000
  0.002494585600 -0.000916562280  0.292425780000  0.091889485000
 -0.002062171000 -0.000202756740  0.022222259000 -0.707593700000
 -0.001209197200 -0.001413512900  0.000681596070 -0.489012020000
 -0.000202215450 -0.000066050927 -0.000339695990 -0.063212776000
   12    2
  8.6692000000e2  1.8829000000e2
       3510.00000000
       1064.00000000
        418.00000000
        185.50000000
         88.00000000
         43.63000000
         21.68000000
         10.98000000
          5.51800000
          2.77200000
          1.33900000
          0.58350000
  0.003351952400  0.001929291900
  0.024378117000  0.013880259000
  0.102990480000  0.060488386000
  0.275159240000  0.162215860000
  0.423134350000  0.238169250000
  0.304470900000  0.021466410000
  0.075756367000 -0.425790650000
  0.000738137990 -0.501302890000
  0.000524800570 -0.166844580000
  0.000379507530 -0.009532871900
  0.000599954800 -0.000429466680
  0.000044410103  0.000268591580
    8    1
 67.360000000000
        458.00000000
        162.00000000
         70.28000000
         33.58000000
         16.76000000
          8.58800000
          4.38300000
          2.09500000
  0.006311306600
  0.043659451000
  0.152887290000
  0.313033320000
  0.386457050000
  0.274715720000
  0.095877738000
  0.010390862000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
PuQR(7K)-[Xe,4f,5d]
End of Spectral Representation Operator

/Am.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.27el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
AMERICIUM (14s,10p,12d,9f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f], [6s5p6d4f1g] recommended
*
* AmQR10D AmQR10D-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: AmQR10D-[Xe,4f]
* mv+dw from AmQR(10D)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  AmQR10D AmQR10D-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d) rather than so-correct the basis set
********************************************************************************
    27.0   4
* s-type functions
   14    2
   27583898.90000000
    1676237.16000000
     166397.20700000
      22982.61230000
       3833.02683000
        282.87875700
         50.67171540
         11.91650290
          3.53565981
          2.54988735
       6143.57635e-4
       2787.80788e-4
       6160.42682e-5
       2545.27916e-5
 -0.000057620163  0.000016143670
 -0.000352919994  0.000098878413
 -0.001717687780  0.000481254003
 -0.007542246750  0.002112923770
 -0.023146297400  0.006482549020
  0.114488672000 -0.032074259600
 -0.362589555000  0.102383947000
  0.824779722000 -0.239891826000
 -0.463149096000  0.152675186000
 -0.865233826000  0.272041797000
  0.943821025000 -0.441801755000
  0.424418521000 -0.305708813000
  0.014012815600  0.693563176000
  0.000551304147  0.509093498000
* p-type functions
   10    1
       8706.24472000
       1791.48502000
        514.77479100
         71.60193660
         14.19966380
          3.93321300
          2.65017248
       6361.33685e-4
       2919.89983e-4
       1226.80962e-4
  0.002082529070
  0.013415094600
  0.038605294400
 -0.140017225000
  0.340944637000
 -0.246362426000
 -0.407358946000
  0.584288520000
  0.487751241000
  0.099817595600
* d-type functions
   12    2
       2286.85063000
        656.91465600
        243.24116600
        101.71463500
         22.58635940
         12.09431200
          4.35400468
          2.26870496
          1.07791589
       4068.92535e-4
       1392.31801e-4
       4377.10436e-5
  0.002191202100 -0.000453962972
  0.016965144200 -0.003500175730
  0.067036821300 -0.013916733900
  0.122042280000 -0.025066788200
 -0.260672872000  0.057751862300
 -0.248454891000  0.048376316500
  0.376112114000 -0.101684216000
  0.530485488000 -0.144187864000
  0.231981039000  0.037078668100
  0.021880017700  0.329747782000
 -0.001109597020  0.501632011000
  0.000209841460  0.393309494000
* f-type functions
    9    1
        314.89540100
        106.70917400
         43.49492160
         18.89595320
          4.09130902
          1.94895174
       8959.58386e-4
       3782.81031e-4
       1374.17735e-4
 -0.005254358150
 -0.034221356900
 -0.100966898000
 -0.133998817000
  0.245311778000
  0.386563432000
  0.356526174000
  0.225862577000
  0.084638264600
* g-type functions
    3    1
          3.38700000
          1.09800000
          0.31450000
  0.541088025000
  0.535939375000
  0.245873310000
********************************************************************************
* Core AIMP: AmQR10D AmQR10D-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.2062919000e5  1.5046269000e5  5.1267451000e4  1.9008192000e4  7.4231545000e3  2.9415086000e3  1.2559728000e3  6.1331834000e2  2.3249529000e2  1.2622714000e2 26.440256000000
 14.716394000000  6.038793300000  3.407104600000  1.606916800000
  0.031163237778  0.024548892222  0.037857107407  0.055338174074  0.071669903704  0.094973933333  0.163846518519  0.173600292593  0.166290507407  0.473645481481  0.686476185185
  0.217214622222  0.254072022222  0.066859533333  0.000962088963
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  9.3034121000e3  1.7752186000e3  4.5894590000e2  1.2236572000e2 28.452964000000
   10917413.00000000
    1104261.90000000
     198227.76000000
      48175.93500000
      14347.00200000
       4942.39400000
       1894.83670000
        780.74165000
        352.30761000
        168.44005000
         73.48506700
         38.93926300
         17.73442000
          9.78963960
          4.53947330
          2.50501950
          1.21800000
  0.004735385100  0.002025350300  0.000989017880  0.000516606330  0.000259726690
  0.014496264000  0.006293247200  0.003096087700  0.001614395700  0.000812100900
  0.038562523000  0.017217386000  0.008453088500  0.004428650000  0.002227332000
  0.093870682000  0.043240883000  0.021538978000  0.011250025000  0.005664168200
  0.202458170000  0.098336389000  0.048925565000  0.025760757000  0.012968223000
  0.348204270000  0.182681300000  0.093695971000  0.049189428000  0.024818058000
  0.374021850000  0.214796750000  0.109251360000  0.058330051000  0.029415294000
  0.152016180000 -0.048995879000 -0.049177202000 -0.031808440000 -0.016676371000
 -0.018209472000 -0.533935810000 -0.490222480000 -0.297332270000 -0.156363780000
 -0.020156086000 -0.487086450000 -0.509574770000 -0.343336770000 -0.185316600000
  0.007461281100 -0.076308425000  0.548414880000  0.619266630000  0.383483890000
  0.020828396000  0.025897030000  0.747159820000  0.982742320000  0.652117050000
 -0.005845845100 -0.009433934800  0.120609490000 -0.578465690000 -0.604715470000
 -0.009405130600 -0.002424479800 -0.020719018000 -0.913717310000 -1.262026500000
  0.000513375800 -0.001473364200  0.006423700800 -0.114056870000  0.540564140000
  0.003601939300  0.003165727100 -0.001290868500  0.009338111500  0.981810340000
  0.000444822990  0.000108337120  0.000760637960 -0.001149572500  0.152397470000
   14    4
  1.4677117000e3  3.7308088000e2 93.872127000000 19.303084000000
      32760.00000000
       7336.00000000
       2373.00000000
        924.60000000
        403.70000000
        190.20000000
         91.58000000
         46.95000000
         23.85000000
         12.62800000
          6.65600000
          3.55600000
          1.82400000
          0.82890000
  0.005449456200  0.002985606700  0.001575574200  0.000764197830
  0.029730300000  0.016384944000  0.008696950200  0.004259664300
  0.108869830000  0.062045053000  0.033100981000  0.016123494000
  0.272666750000  0.161283760000  0.087255649000  0.042946332000
  0.414009420000  0.255812410000  0.139237870000  0.068038285000
  0.300606610000  0.082326530000  0.023992076000  0.009589641900
  0.063084348000 -0.425610860000 -0.368048990000 -0.205138430000
 -0.010616309000 -0.542396410000 -0.457260660000 -0.245742370000
  0.001539406200 -0.163235230000  0.266748790000  0.232306930000
  0.004988115300  0.000967870090  0.708873910000  0.655496830000
  0.002189243400 -0.001270764400  0.265360480000  0.029088611000
 -0.002208996500 -0.000243144190  0.016035769000 -0.729484200000
 -0.001156437200 -0.001393484000  0.000923562890 -0.452055110000
 -0.000171757600 -0.000040173141 -0.000350850080 -0.051220384000
   11    2
  8.9231000000e2  1.9448000000e2
       1871.00000000
        570.30000000
        225.10000000
         99.90000000
         47.50000000
         22.71000000
         11.21000000
          5.47200000
          2.71600000
          1.29100000
          0.54420000
  0.012228134000  0.006931351900
  0.076756924000  0.045068449000
  0.253306080000  0.149676330000
  0.440378400000  0.255017990000
  0.341234140000  0.054678876000
  0.085608705000 -0.435546870000
 -0.000398490530 -0.517437390000
  0.001067189300 -0.155724060000
  0.000178068920 -0.005302886100
  0.000663599240 -0.000834599540
  0.000002935208  0.000322132600
    6    1
 35.060081000000
        252.30000000
         87.70000000
         37.13000000
         16.89000000
          7.85400000
          3.46400000
  0.025974507000
  0.138139200000
  0.340410750000
  0.439355880000
  0.277685750000
  0.058709373000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
AmQR(10D)-[Xe,4f,5d]
End of Spectral Representation Operator

/Cm.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.28el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
CURIUM (14s,10p,12d,9f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f], [6s5p6d4f1g] recommended
*
* CmQR9D CmQR9D-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: CmQR9D-[Xe,4f]
* mv+dw from CmQR(9D)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  CmQR9D CmQR9D-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d) rather than so-correct the basis set
********************************************************************************
    28.0   4
* s-type functions
   14    2
   30403851.40000000
    1835918.51000000
     180183.53800000
      24520.44850000
       3994.02936000
        291.25787000
         52.32435550
         12.33898800
          3.69571635
          2.64834292
       6592.22024e-4
       3098.01609e-4
       7449.07532e-5
       2924.51931e-5
 -0.000058616190  0.000016544863
 -0.000358082946  0.000101071475
 -0.001737543390  0.000490434935
 -0.007639492210  0.002156249200
 -0.023801689300  0.006717400140
  0.116640925000 -0.032957392700
 -0.371262743000  0.105805983000
  0.849845208000 -0.249740224000
 -0.495379918000  0.162068370000
 -0.876698857000  0.284460657000
  0.958978310000 -0.457795054000
  0.429181630000 -0.331019361000
  0.011286637400  0.680247610000
 -0.002326801090  0.547269792000
* p-type functions
   10    1
       9011.81407000
       1848.94868000
        530.06450100
         73.60841990
         14.69461360
          3.95795997
          2.69700352
       6736.71418e-4
       3105.12928e-4
       1269.77857e-4
  0.002166977700
  0.013940969000
  0.040162082000
 -0.145616083000
  0.353995285000
 -0.303815813000
 -0.374178551000
  0.613322243000
  0.479806172000
  0.082865286200
* d-type functions
   12    2
       2356.34061000
        676.30382000
        250.28263000
        104.65222700
         23.17838430
         12.35075080
          4.66190921
          2.46537178
          1.19694541
       4866.96336e-4
       1837.58528e-4
       6272.65084e-5
  0.002214664550 -0.000571626496
  0.017151184600 -0.004403616260
  0.067911494000 -0.017568364500
  0.123962675000 -0.031666083500
 -0.268601953000  0.074167125900
 -0.251050064000  0.061237547800
  0.354777221000 -0.122484336000
  0.533465285000 -0.180323674000
  0.248230309000  0.023193466600
  0.026818745200  0.376086070000
 -0.001103748020  0.518187333000
  0.000267255068  0.299884786000
* f-type functions
    9    1
        329.61820200
        111.70337200
         45.54196450
         19.79883070
          4.27738635
          2.04695966
       9644.66442e-4
       4322.32045e-4
       1730.08577e-4
 -0.005419449630
 -0.035680163800
 -0.106727022000
 -0.143610623000
  0.265114885000
  0.401045821000
  0.344144398000
  0.193149697000
  0.054779883600
* g-type functions
    3    1
          3.68600000
          1.27600000
          0.40630000
  0.540341383000
  0.524645904000
  0.221687147000
********************************************************************************
* Core AIMP: CmQR9D CmQR9D-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.4277999000e5  1.5522938000e5  5.2642551000e4  1.9417442000e4  7.5519645000e3  2.9818096000e3  1.2756318000e3  6.2541404000e2  2.3863089000e2  1.3007632000e2 27.219396000000
 15.051837000000  6.317239300000  3.751761700000  2.288355500000
  0.030068182143  0.023776111071  0.036789271429  0.053724846429  0.069538600000  0.092637621429  0.159119153571  0.164943439286  0.159522550000  0.456719321429  0.670063678571
  0.201690021429  0.238103346429  0.067557892857  0.004317377143
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  9.5490172000e3  1.8297123000e3  4.7482616000e2  1.2761571000e2 30.181282000000
   12867413.00000000
    1291261.90000000
     230027.76000000
      55475.93500000
      16357.00200000
       5579.39400000
       2124.83670000
        881.64165000
        385.40761000
        181.24005000
         77.51506800
         41.16926300
         18.61442000
         10.34164000
          4.81647330
          2.67701950
          1.31000000
  0.004562798900  0.001961810600  0.000958985830  0.000501931700  0.000253875150
  0.013839063000  0.006028172100  0.002967591200  0.001550971100  0.000784519890
  0.036384507000  0.016312157000  0.008015349000  0.004207092300  0.002129142700
  0.088029964000  0.040591850000  0.020226122000  0.010588932000  0.005359711000
  0.190782670000  0.092791285000  0.046179884000  0.024353257000  0.012338492000
  0.335726330000  0.174660620000  0.089428169000  0.047047783000  0.023853382000
  0.379709670000  0.218814980000  0.111564850000  0.059601082000  0.030281867000
  0.175970350000 -0.011531006000 -0.024261232000 -0.017375399000 -0.009400683700
 -0.009385961900 -0.512792350000 -0.463171040000 -0.280710340000 -0.148118580000
 -0.024446569000 -0.521002740000 -0.546632820000 -0.366043200000 -0.198839990000
  0.007538644800 -0.089456857000  0.502265120000  0.569575250000  0.355989420000
  0.021292504000  0.029873754000  0.775263750000  1.017882700000  0.677240350000
 -0.004776838500 -0.010793158000  0.133297360000 -0.527648860000 -0.558679440000
 -0.010484508000 -0.001729912400 -0.023832258000 -0.943414960000 -1.303575100000
  0.000506240800 -0.002213073400  0.007414970900 -0.125421140000  0.489093920000
  0.003730761000  0.003623754600 -0.001667248300  0.010220257000  1.013278400000
  0.000537094710  0.000092583061  0.000882644650 -0.001255585700  0.167762700000
   14    4
  1.5068656000e3  3.8493882000e2 97.811089000000 20.569137000000
      34180.00000000
       7640.00000000
       2470.00000000
        962.10000000
        420.60000000
        198.50000000
         95.88000000
         49.31000000
         25.25000000
         13.41700000
          7.13700000
          3.81700000
          1.97100000
          0.91790000
  0.005421848300  0.002975561900  0.001575895900  0.000769640670
  0.029366111000  0.016224808000  0.008633800000  0.004259052700
  0.107337010000  0.061254595000  0.032787409000  0.016080972000
  0.269024110000  0.159330000000  0.086395645000  0.042827518000
  0.411304930000  0.254258400000  0.138881690000  0.068328246000
  0.305115640000  0.090656016000  0.029442746000  0.012512141000
  0.067321317000 -0.410493150000 -0.355783610000 -0.200010960000
 -0.010749908000 -0.547306190000 -0.468240330000 -0.254497710000
  0.001212207600 -0.174813500000  0.231792710000  0.208138510000
  0.005099295700 -0.001094031100  0.709987240000  0.661607080000
  0.002551898900 -0.000831830070  0.288451500000  0.075963415000
 -0.002236931500 -0.000342946450  0.021019036000 -0.719616140000
 -0.001267691900 -0.001459064700  0.000745087160 -0.478078490000
 -0.000205227610 -0.000071256716 -0.000342280860 -0.060032521000
   11    2
  9.2091000000e2  2.0361000000e2
       1855.00000000
        565.20000000
        223.50000000
         99.70000000
         47.76000000
         23.19000000
         11.59000000
          5.74300000
          2.87900000
          1.38700000
          0.60220000
  0.013084163000  0.007474472200
  0.081338764000  0.047937446000
  0.262092650000  0.155867310000
  0.441260170000  0.254686730000
  0.329801240000  0.043286348000
  0.081306648000 -0.434967310000
  0.000192540080 -0.510339130000
  0.000720817890 -0.157606030000
  0.000364706230 -0.006574328400
  0.000622534930 -0.000700796560
  0.000026312313  0.000300755500
    6    1
 37.401838000000
        264.00000000
         91.85000000
         38.95000000
         17.76000000
          8.28000000
          3.66200000
  0.025139505000
  0.134965980000
  0.336514090000
  0.440026700000
  0.281630070000
  0.060033882000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CmQR(9D)-[Xe,4f,5d]
End of Spectral Representation Operator

/Bk.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.29el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
BERKELIUM (14s,10p,12d,9f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f], [6s5p6d4f1g] recommended
*
* BkQR8H BkQR8H-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: BkQR8H-[Xe,4f]
* mv+dw from BkQR(8H)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  BkQR8H BkQR8H-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),3.0*Bk(4f) rather than so-correct the basis set
********************************************************************************
    29.0   4
* s-type functions
   14    2
   33287078.30000000
    1999748.82000000
     194358.97300000
      26103.36300000
       4154.08835000
        299.72768500
         53.99930650
         12.77331370
          3.84504827
          2.74701645
       6896.00681e-4
       3238.29069e-4
       7744.97364e-5
       3031.48854e-5
 -0.000058640149  0.000016480961
 -0.000357069006  0.000100354858
 -0.001725641850  0.000484997064
 -0.007588362950  0.002132622270
 -0.023984107300  0.006739456610
  0.116500016000 -0.032768846900
 -0.372810785000  0.105786160000
  0.857618997000 -0.251008420000
 -0.523644204000  0.170305940000
 -0.855574058000  0.276526646000
  0.956384498000 -0.452469175000
  0.433129848000 -0.334484261000
  0.011509487300  0.679415574000
 -0.002369921440  0.547754851000
* p-type functions
   10    1
       9310.60376000
       1906.04886000
        545.41934600
         75.69270580
         15.16180080
          4.37531446
          2.96302177
       6866.63347e-4
       3117.94702e-4
       1254.14867e-4
  0.002199326430
  0.014113277300
  0.040661238000
 -0.147226390000
  0.358770652000
 -0.221065004000
 -0.454693178000
  0.632371689000
  0.465846864000
  0.072827441900
* d-type functions
   12    2
       2425.03075000
        695.43294600
        257.25789800
        107.57488200
         23.84682040
         12.75403410
          4.81739725
          2.53585542
          1.22266761
       4837.92867e-4
       1776.99771e-4
       5906.12066e-5
  0.002234783830 -0.000542478010
  0.017303972100 -0.004178717630
  0.068606249600 -0.016692023100
  0.125441504000 -0.030137807800
 -0.272424912000  0.070889937400
 -0.251861844000  0.057449323600
  0.364849422000 -0.118314009000
  0.535014189000 -0.169061803000
  0.240348631000  0.030138678100
  0.023858405100  0.368362612000
 -0.001139341540  0.515665129000
  0.000275606119  0.317439697000
* f-type functions
    9    1
        343.23563900
        116.33332200
         47.45698790
         20.65849850
          4.47406677
          2.13495307
          1.00110680
       4467.91839e-4
       1781.78334e-4
 -0.005400086620
 -0.035819334600
 -0.108187604000
 -0.146781314000
  0.272562459000
  0.404765230000
  0.340535933000
  0.187484236000
  0.052482598300
* g-type functions
    3    1
          3.86500000
          1.33700000
          0.42450000
  0.547018485000
  0.520988792000
  0.217900104000
********************************************************************************
* Core AIMP: BkQR8H BkQR8H-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.9061239000e5  1.7086425000e5  5.8946101000e4  2.2028372000e4  8.6561405000e3  3.4438606000e3  1.4431258000e3  6.8775624000e2  2.5817939000e2  1.3503716000e2 28.120006000000
 15.583135000000  6.440727300000  3.559352700000  1.108055800000
  0.028313031379  0.021848010000  0.033642490345  0.049287317241  0.064589317241  0.084479944828  0.146765293103  0.172592041379  0.149688827586  0.452137000000  0.647709758621
  0.195506327586  0.242483082759  0.055617865517  0.000167270724
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  9.7994639000e3  1.8851921000e3  4.9066978000e2  1.3254891000e2 31.498095000000
   12687413.00000000
    1268261.90000000
     224927.76000000
      54095.93500000
      15957.00200000
       5450.39400000
       2075.83670000
        854.64165000
        382.00761000
        181.74005000
         78.79506800
         41.80926300
         19.09442000
         10.60264000
          4.97247330
          2.75301950
          1.34800000
  0.004916883400  0.002125220600  0.001040000200  0.000545429020  0.000277202110
  0.014818126000  0.006496932400  0.003201485000  0.001676822900  0.000852630260
  0.038792998000  0.017490850000  0.008605914900  0.004526205000  0.002301230900
  0.093049852000  0.043259474000  0.021582208000  0.011324283000  0.005763223800
  0.199073690000  0.097475132000  0.048587996000  0.025678223000  0.013067818000
  0.343445940000  0.180465460000  0.092570447000  0.048813390000  0.024892367000
  0.376178210000  0.214658730000  0.109071120000  0.058356508000  0.029745621000
  0.161128480000 -0.039207977000 -0.043504438000 -0.028624698000 -0.015232726000
 -0.016241546000 -0.525655060000 -0.480777050000 -0.292959240000 -0.155774100000
 -0.022425789000 -0.497136160000 -0.518364130000 -0.348970310000 -0.190394410000
  0.007828007100 -0.080965371000  0.532436810000  0.605824640000  0.380518600000
  0.022099725000  0.028293006000  0.755330620000  0.996739260000  0.670466840000
 -0.005869595700 -0.010386765000  0.125337130000 -0.559011060000 -0.599414840000
 -0.010316711000 -0.002411587200 -0.021907934000 -0.927450820000 -1.296968200000
  0.000539884610 -0.001787541700  0.006695956200 -0.119959040000  0.533975520000
  0.003880792800  0.003514823900 -0.001232579200  0.009321289300  0.996211960000
  0.000503377280  0.000116535010  0.000800985060 -0.001128619200  0.158349340000
   14    4
  1.5462202000e3  3.9655936000e2  1.0137114000e2 21.415930000000
      36110.00000000
       8007.00000000
       2580.00000000
       1003.00000000
        437.50000000
        206.00000000
         99.35000000
         51.05000000
         26.14000000
         13.90100000
          7.40100000
          3.96500000
          2.04700000
          0.95200000
  0.005322688200  0.002927222900  0.001554845100  0.000763697120
  0.028866163000  0.015981190000  0.008528052900  0.004230161400
  0.105476860000  0.060285831000  0.032359391000  0.015960782000
  0.265685880000  0.157480040000  0.085608049000  0.042670082000
  0.410767710000  0.254145790000  0.139207250000  0.068886220000
  0.309518200000  0.096161605000  0.033008001000  0.014375513000
  0.069758322000 -0.404808460000 -0.352289180000 -0.199328020000
 -0.011032828000 -0.550754090000 -0.473620080000 -0.259464750000
  0.001168650500 -0.178516130000  0.224421940000  0.205275500000
  0.005279407400 -0.001191355900  0.712867810000  0.670021240000
  0.002655172900 -0.000806733130  0.291310170000  0.077364452000
 -0.002326406600 -0.000383200010  0.021228425000 -0.723909850000
 -0.001306366500 -0.001501507700  0.000761099950 -0.477117130000
 -0.000210158720 -0.000073665850 -0.000342470980 -0.059406355000
   11    2
  9.4860000000e2  2.1152000000e2
       1845.00000000
        561.90000000
        222.40000000
         99.40000000
         47.72000000
         23.29000000
         11.71000000
          5.83600000
          2.93900000
          1.42200000
          0.61810000
  0.013914066000  0.007993020300
  0.085660619000  0.050725810000
  0.270911460000  0.161929930000
  0.444108340000  0.255650170000
  0.319326040000  0.027200487000
  0.074981434000 -0.447424260000
  0.000015387534 -0.499550910000
  0.000591794190 -0.148497470000
  0.000479117050 -0.005920879700
  0.000582113920 -0.000631218350
  0.000034803133  0.000267688800
    6    1
  1.1801000000e2
        270.90000000
         94.30000000
         40.02000000
         18.28000000
          8.55100000
          3.79600000
  0.025340190000
  0.136020330000
  0.338527550000
  0.440284380000
  0.278199110000
  0.058103210000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
BkQR(8H)-[Xe,4f,5d]
End of Spectral Representation Operator

/Cf.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.30el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
CALIFORNIUM (14s,10p,12d,9f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f], [6s5p6d4f1g] recommended
*
* CfQR7K CfQR7K-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: CfQR7K-[Xe,4f]
* mv+dw from CfQR(7K)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  CfQR7K CfQR7K-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),3.0*Bk(4f) rather than so-correct the basis set
********************************************************************************
    30.0   4
* s-type functions
   14    2
   36580619.00000000
    2185020.44000000
     210140.14500000
      27819.14910000
       4319.89172000
        307.98627300
         55.80657030
         13.17079450
          4.21282121
          2.89663461
       7233.06752e-4
       3401.87249e-4
       7962.85534e-5
       3111.16868e-5
 -0.000058396804  0.000016282551
 -0.000354674347  0.000098892186
 -0.001708697010  0.000476430565
 -0.007521077750  0.002096971230
 -0.024121295600  0.006724412290
  0.116278153000 -0.032449190100
 -0.372959498000  0.105010331000
  0.868292779000 -0.252295159000
 -0.448302766000  0.144227836000
 -0.942424850000  0.302488616000
  0.945734647000 -0.440407282000
  0.445260969000 -0.339899054000
  0.012226431700  0.677985804000
 -0.002609231430  0.546099365000
* p-type functions
   10    1
       9664.82356000
       1970.37208000
        561.80560000
         77.80273920
         15.63592500
          4.81896290
          3.17181534
       7051.32664e-4
       3165.05417e-4
       1256.00247e-4
  0.002216052880
  0.014232683800
  0.041126734500
 -0.148585939000
  0.363076187000
 -0.169699188000
 -0.505327131000
  0.642153802000
  0.458879166000
  0.067307207800
* d-type functions
   12    2
       2494.59256000
        714.76632900
        264.30798100
        110.53227700
         24.52969270
         13.16833210
          4.97945112
          2.61396794
          1.25592290
       4896.14211e-4
       1772.72586e-4
          0.05810065
  0.002254486260 -0.000529591194
  0.017451518400 -0.004078454810
  0.069267679900 -0.016309336000
  0.126830069000 -0.029488154100
 -0.275915747000  0.069594675100
 -0.252629806000  0.055535099600
  0.372990277000 -0.116982213000
  0.535151508000 -0.163273581000
  0.234422955000  0.034933255900
  0.022206074900  0.365258922000
 -0.001105195490  0.513848155000
  0.000288523733  0.325852249000
* f-type functions
    9    1
        354.95045700
        120.43537600
         49.22880970
         21.49455860
          4.67298686
          2.22018278
          1.03383221
       4591.12665e-4
       1829.49708e-4
 -0.005449644190
 -0.036220938200
 -0.109739794000
 -0.149597688000
  0.279587216000
  0.409968155000
  0.337331316000
  0.180621004000
  0.048952785500
* g-type functions
    3    1
          4.04800000
          1.40300000
          0.44590000
  0.552454114000
  0.517218463000
  0.214539447000
********************************************************************************
* Core AIMP: CfQR7K CfQR7K-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.2400229000e5  1.5940566000e5  5.6633931000e4  2.1725122000e4  8.7054335000e3  3.5111896000e3  1.4849498000e3  7.0933184000e2  2.6674539000e2  1.3914050000e2 28.928826000000
 15.811009000000  6.599575300000  3.611396700000  0.766598520000
  0.029083303000  0.021647713000  0.032719168667  0.047250623333  0.061611620000  0.081016543333  0.141039586667  0.166669060000  0.144062616667  0.438139366667  0.633730233333
  0.184386633333  0.236215970000  0.049036516667  0.000057713427
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  1.0055298000e4  1.9421064000e3  5.0690732000e2  1.3758877000e2 32.826419000000
   14507413.00000000
    1441261.90000000
     254127.76000000
      60645.93500000
      17747.00200000
       6019.39400000
       2281.83670000
        943.94165000
        411.70761000
        193.44005000
         82.79506800
         43.99926300
         19.92442000
         11.12464000
          5.21447330
          2.89701950
          1.41800000
  0.004838367800  0.002102531800  0.001029927500  0.000541163260  0.000276342170
  0.014427905000  0.006351011800  0.003131459200  0.001643515600  0.000839479520
  0.037397069000  0.016936280000  0.008340474100  0.004394365000  0.002245032000
  0.089162936000  0.041544933000  0.020733801000  0.010901533000  0.005572627900
  0.190712140000  0.093611817000  0.046686512000  0.024712717000  0.012638390000
  0.333695170000  0.174463820000  0.089380857000  0.047217639000  0.024179178000
  0.379424700000  0.217002390000  0.110468930000  0.059161837000  0.030320531000
  0.179529300000 -0.012081258000 -0.025681797000 -0.018310954000 -0.009960872700
 -0.009161793900 -0.509263790000 -0.460397030000 -0.280484000000 -0.149632540000
 -0.025983001000 -0.521717710000 -0.544873040000 -0.365447850000 -0.200311630000
  0.007921266700 -0.091033156000  0.494923270000  0.565931180000  0.357923980000
  0.022586507000  0.031240434000  0.778318930000  1.024246800000  0.690941230000
 -0.004977569600 -0.011293698000  0.136061040000 -0.520570020000 -0.567226510000
 -0.011315645000 -0.002044768300 -0.025025189000 -0.949865310000 -1.326989700000
  0.000638019430 -0.002252202100  0.007700381900 -0.127244730000  0.510501770000
  0.003965234700  0.003840351500 -0.001606207600  0.010131358000  1.011292900000
  0.000566930970  0.000105242240  0.000905700700 -0.001235782700  0.165012210000
   14    4
  1.5861772000e3  4.0836042000e2  1.0497052000e2 22.253880000000
      37340.00000000
       8254.00000000
       2657.00000000
       1031.60000000
        449.80000000
        211.90000000
        102.24000000
         52.57000000
         26.94000000
         14.35500000
          7.65500000
          4.10600000
          2.11800000
          0.98260000
  0.005364985100  0.002956927900  0.001575063100  0.000777880610
  0.028933146000  0.016054276000  0.008591436200  0.004283098800
  0.105422920000  0.060376170000  0.032498768000  0.016116052000
  0.265425980000  0.157563880000  0.085886307000  0.043026160000
  0.410170890000  0.253930570000  0.139427420000  0.069366972000
  0.310085220000  0.096789666000  0.033371792000  0.014560663000
  0.070505439000 -0.402930920000 -0.352153040000 -0.200452650000
 -0.011379142000 -0.551300710000 -0.475414940000 -0.262175090000
  0.001213743500 -0.179951200000  0.221958250000  0.205899280000
  0.005436766500 -0.001056756700  0.714262320000  0.677238170000
  0.002747247900 -0.000802531680  0.292231230000  0.074859396000
 -0.002426372700 -0.000429317550  0.021251892000 -0.729029050000
 -0.001337795700 -0.001539155600  0.000742450330 -0.474224640000
 -0.000213058540 -0.000074327735 -0.000336658580 -0.058029853000
   11    2
  9.7661000000e2  2.1949000000e2
       1854.00000000
        564.00000000
        223.10000000
         99.80000000
         47.99000000
         23.54000000
         11.89000000
          5.94300000
          2.99400000
          1.44800000
          0.62750000
  0.014496462000  0.008373522800
  0.088847656000  0.052839547000
  0.277677050000  0.166803750000
  0.446077470000  0.256232980000
  0.311279480000  0.014970930000
  0.070427376000 -0.456168250000
 -0.000032362340 -0.491823460000
  0.000470824980 -0.141586110000
  0.000589038720 -0.005252028700
  0.000543681140 -0.000599523140
  0.000040141719  0.000246194650
    6    1
  1.2384000000e2
        285.10000000
         99.29000000
         42.17000000
         19.28000000
          9.02500000
          4.00600000
  0.024180896000
  0.131603430000
  0.333324920000
  0.441817390000
  0.283921650000
  0.059908495000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
CfQR(7K)-[Xe,4f,5d]
End of Spectral Representation Operator

/Es.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.31el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
EINSTEINIUM (14s,10p,12d,9f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f], [6s5p6d4f1g] recommended
*
* EsQR6L EsQR6L-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: EsQR6L-[Xe,4f]
* mv+dw from EsQR(6L)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  EsQR6L EsQR6L-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),3.0*Bk(4f) rather than so-correct the basis set
********************************************************************************
    31.0   4
* s-type functions
   14    2
   39917068.00000000
    2373196.13000000
     226116.99000000
      29550.10870000
       4480.62621000
        315.43578900
         57.58180650
         13.65885230
          4.17122456
          2.95981254
          0.74755977
       3483.63957e-4
       8211.38959e-5
       3190.44984e-5
 -0.000058203261  0.000016063881
 -0.000352438423  0.000097271309
 -0.001691542750  0.000466861534
 -0.007445104080  0.002054677960
 -0.024199578600  0.006677302100
  0.116159634000 -0.032080021600
 -0.373798707000  0.104168631000
  0.868876959000 -0.249854793000
 -0.562356645000  0.178928216000
 -0.824954274000  0.261854184000
  0.955574834000 -0.439277635000
  0.434177687000 -0.334263596000
  0.011282407300  0.673404775000
 -0.002327474400  0.549975102000
* p-type functions
   10    1
       9982.79985000
       2029.87689000
        577.87110000
         79.91486240
         16.17860930
          4.49550627
          3.07002835
       7488.84351e-4
       3393.04839e-4
       1363.13322e-4
  0.002244290710
  0.014376556900
  0.041510760600
 -0.149956578000
  0.364131072000
 -0.296019045000
 -0.383469683000
  0.619163112000
  0.476951272000
  0.078120992900
* d-type functions
   12    2
       2569.42606000
        735.53811600
        271.84907100
        113.65852400
         25.11593290
         13.38439930
          5.28918995
          2.77309941
          1.32711958
       5123.53655e-4
       1837.24816e-4
       5945.95866e-5
  0.002266389420 -0.000523413823
  0.017545153300 -0.004029546040
  0.069782456000 -0.016154584000
  0.128205992000 -0.029288773800
 -0.283795971000  0.070289338500
 -0.253640736000  0.054879320200
  0.360184473000 -0.110656707000
  0.544151238000 -0.164282629000
  0.242963100000  0.029609575400
  0.023277459900  0.358577552000
 -0.001175618230  0.515662057000
  0.000344959123  0.336577575000
* f-type functions
    9    1
        368.92009100
        125.19703900
         51.19691680
         22.37176540
          4.88273993
          2.32587107
          1.08680798
       4846.45547e-4
       1940.39239e-4
 -0.005427574210
 -0.036320445900
 -0.111043552000
 -0.152683212000
  0.283956653000
  0.409990798000
  0.333664561000
  0.178275266000
  0.048678439200
* g-type functions
    3    1
          4.23300000
          1.47000000
          0.46790000
  0.557514540000
  0.513787405000
  0.211003624000
********************************************************************************
* Core AIMP: EsQR6L EsQR6L-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.4720449000e5  1.6480980000e5  5.8440891000e4  2.2444882000e4  8.9976645000e3  3.6286716000e3  1.5338227000e3  7.3188044000e2  2.7553439000e2  1.4333937000e2 29.778296000000
 16.138234000000  6.799181300000  3.704502600000  0.547181820000
  0.028133093548  0.021007643871  0.031648544839  0.045561729032  0.059461232258  0.078312170968  0.136237409677  0.161495835484  0.138796451613  0.425003709677  0.618489064516
  0.174982161290  0.229242322581  0.045147551613  0.000029469423
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  1.0316701000e4  2.0005169000e3  5.2356040000e2  1.4274690000e2 34.174566000000
   15037413.00000000
    1484261.90000000
     260727.76000000
      62015.93500000
      18077.00200000
       6106.39400000
       2306.83670000
        949.14165000
        418.00761000
        197.14005000
         85.01506800
         45.10926300
         20.47442000
         11.44864000
          5.38647330
          2.98501950
          1.46000000
  0.005065483600  0.002212950500  0.001085070800  0.000571224360  0.000292955280
  0.014989973000  0.006637203800  0.003275308200  0.001722299200  0.000883747950
  0.038531003000  0.017539701000  0.008646683900  0.004564576600  0.002341816600
  0.091179889000  0.042757188000  0.021358619000  0.011251479000  0.005778598400
  0.193944390000  0.095672926000  0.047767084000  0.025335696000  0.013010108000
  0.336873900000  0.177103140000  0.090806258000  0.048056935000  0.024729654000
  0.378760700000  0.215040580000  0.109221240000  0.058585862000  0.030124036000
  0.174173960000 -0.023686446000 -0.034043990000 -0.023313890000 -0.012591321000
 -0.012439931000 -0.514543080000 -0.467482450000 -0.285666480000 -0.153314090000
 -0.025438351000 -0.511855080000 -0.532927990000 -0.358676230000 -0.197364070000
  0.008131231400 -0.086924690000  0.506710700000  0.581448990000  0.369397680000
  0.023377815000  0.030325530000  0.771247290000  1.016682800000  0.691553390000
 -0.005640889600 -0.010923715000  0.132798450000 -0.537474870000 -0.593953740000
 -0.011404304000 -0.002674931300 -0.024719069000 -0.940930470000 -1.324392900000
  0.000719900270 -0.001904205000  0.007547879300 -0.123996960000  0.543634720000
  0.004091020300  0.003776139800 -0.001431238000  0.009736580200  0.998968640000
  0.000548284380  0.000126950370  0.000877895900 -0.001180179900  0.157610820000
   14    4
  1.6267501000e3  4.2035130000e2  1.0861699000e2 23.089803000000
      38980.00000000
       8617.00000000
       2768.00000000
       1072.50000000
        466.50000000
        219.30000000
        105.82000000
         54.41000000
         27.93000000
         14.89400000
          7.96000000
          4.26600000
          2.19900000
          1.01860000
  0.005318677600  0.002937014500  0.001568995000  0.000778626160
  0.028514234000  0.015856773000  0.008507675700  0.004262282800
  0.103910990000  0.059596710000  0.032167502000  0.016028775000
  0.262786200000  0.156167390000  0.085323400000  0.042952559000
  0.409887180000  0.253854670000  0.139757820000  0.069869278000
  0.313445830000  0.101178940000  0.036174469000  0.016072384000
  0.072466560000 -0.397281460000 -0.348389340000 -0.199496780000
 -0.011506233000 -0.553722060000 -0.480296380000 -0.266651970000
  0.001049028900 -0.184008670000  0.212567730000  0.200768790000
  0.005672427800 -0.001548605700  0.716183040000  0.684667910000
  0.002839774100 -0.000643189100  0.297128620000  0.079720809000
 -0.002488264400 -0.000524394750  0.022192934000 -0.732220620000
 -0.001391344300 -0.001566559500  0.000647889670 -0.474910410000
 -0.000217323320 -0.000081972833 -0.000318421860 -0.057872401000
   11    2
  1.0049700000e3  2.2752000000e2
       1848.00000000
        563.10000000
        223.60000000
        100.50000000
         48.51000000
         23.89000000
         12.13000000
          6.10200000
          3.08100000
          1.49200000
          0.64560000
  0.015316508000  0.008891609500
  0.092543666000  0.055293517000
  0.283234770000  0.170897950000
  0.445577470000  0.255643960000
  0.304688520000  0.005251543900
  0.067390181000 -0.462183150000
 -0.000187578100 -0.484761350000
  0.000443854770 -0.137212730000
  0.000639183830 -0.005288557200
  0.000536836190 -0.000502870500
  0.000042825452  0.000211814040
    6    1
  1.2969000000e2
        296.00000000
        103.23000000
         43.91000000
         20.11000000
          9.43000000
          4.19000000
  0.023708708000
  0.129652630000
  0.330924120000
  0.442531280000
  0.286032610000
  0.060274026000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
EsQR(6L)-[Xe,4f,5d]
End of Spectral Representation Operator

/Fm.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.32el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
FERMIUM (14s,10p,12d,9f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f], [6s5p6d4f1g] recommended
*
* FmQR5L FmQR5L-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: FmQR5L-[Xe,4f]
* mv+dw from FmQR(5L)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  FmQR5L FmQR5L-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),3.0*Bk(4f) rather than so-correct the basis set
********************************************************************************
    32.0   4
* s-type functions
   14    2
   45422829.40000000
    2686061.15000000
     253089.42500000
      32487.75200000
       4672.17551000
        329.52936700
         59.48323560
         14.21201040
          4.31880764
          3.07011038
          0.78337489
       3645.06327e-4
       8473.73312e-5
       3279.08543e-5
 -0.000058707698  0.000016074367
 -0.000354218840  0.000096985690
 -0.001692118940  0.000463313558
 -0.007480569520  0.002047979520
 -0.025534863900  0.006989543020
  0.116076211000 -0.031791435200
 -0.377557042000  0.104360429000
  0.877848419000 -0.250480427000
 -0.598554315000  0.189393718000
 -0.794798441000  0.249611639000
  0.950542746000 -0.431730065000
  0.439819370000 -0.334879183000
  0.011674257900  0.670389805000
 -0.002459185190  0.550173872000
* p-type functions
   10    1
      10324.59050000
       2093.52850000
        594.54041700
         82.10593490
         16.69238950
          4.77621811
          3.27791174
       7672.07379e-4
       3455.86069e-4
          0.13847360
  0.002266656230
  0.014495036200
  0.041882156200
 -0.151067437000
  0.366693654000
 -0.257793090000
 -0.418389914000
  0.625511627000
  0.469639623000
  0.075855001700
* d-type functions
   12    2
       2643.74565000
        756.10831800
        279.30785000
        116.76155500
         25.77653610
         13.72416850
          5.51818791
          2.88778428
          1.37896025
       5288.17294e-4
       1883.32914e-4
       6043.87771e-5
  0.002280691390 -0.000519309846
  0.017654198600 -0.003996946340
  0.070324397800 -0.016051726800
  0.129484933000 -0.029158565800
 -0.288745323000  0.070523556700
 -0.254402379000  0.054214093700
  0.359859012000 -0.108856297000
  0.547057402000 -0.163096182000
  0.243304379000  0.029711555700
  0.023123109900  0.355931340000
 -0.001153139430  0.515472300000
  0.000372937706  0.342147978000
* f-type functions
    9    1
        383.25375400
        129.99860200
         53.15508170
         23.24629910
          5.09707103
          2.43190377
          1.13738307
          0.50749596
       2033.28494e-4
 -0.005397595540
 -0.036409227600
 -0.112273538000
 -0.155413316000
  0.287678392000
  0.410585550000
  0.331016718000
  0.176009856000
  0.048070423300
* g-type functions
    3    1
          4.42000000
          1.53700000
          0.48950000
  0.562123228000
  0.510708577000
  0.207957718000
********************************************************************************
* Core AIMP: FmQR5L FmQR5L-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.6891069000e5  1.6858482000e5  5.9185381000e4  2.2590372000e4  9.0814965000e3  3.6811736000e3  1.5651302000e3  7.4943514000e2  2.8279789000e2  1.4746737000e2 30.622876000000
 16.361368000000  6.977765300000  3.782461700000  0.220927820000
  0.027338736563  0.020644418438  0.031216423750  0.044552356250  0.057443159375  0.076008600000  0.132183940625  0.155249487500  0.134380934375  0.411470812500  0.605321843750
  0.166070115625  0.222302643750  0.040804843750  0.000011706780
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  1.0583868000e4  2.0604924000e3  5.4065512000e2  1.4803846000e2 35.553639000000
   16347413.00000000
    1611261.90000000
     281427.76000000
      66605.93500000
      19327.00200000
       6501.39400000
       2444.83670000
       1002.24170000
        437.80761000
        205.44005000
         88.26506800
         46.82926300
         21.27442000
         11.92464000
          5.63947330
          3.12001950
          1.52400000
  0.005140834700  0.002258003900  0.001108179000  0.000584415040  0.000300999970
  0.015060639000  0.006701833500  0.003309409100  0.001743610800  0.000898342970
  0.038395367000  0.017561207000  0.008665019600  0.004581869700  0.002360923600
  0.090087212000  0.042426272000  0.021205430000  0.011192976000  0.005771600100
  0.190681730000  0.094401481000  0.047165008000  0.025055354000  0.012923160000
  0.332421780000  0.174784670000  0.089587889000  0.047501818000  0.024537528000
  0.380609420000  0.215515610000  0.109448070000  0.058749882000  0.030351528000
  0.182234060000 -0.014876053000 -0.028747536000 -0.020274646000 -0.011095541000
 -0.010540639000 -0.508610100000 -0.460398610000 -0.281803480000 -0.151787960000
 -0.026812495000 -0.519597800000 -0.540391900000 -0.363348530000 -0.200880840000
  0.008097295100 -0.090270320000  0.494376120000  0.569282500000  0.364011600000
  0.024180952000  0.031626136000  0.778064360000  1.026737200000  0.701409950000
 -0.005563707700 -0.011327529000  0.136218660000 -0.521973680000 -0.582873040000
 -0.011930619000 -0.002736609800 -0.025372933000 -0.950939460000 -1.344597500000
  0.000701564170 -0.002059416400  0.007635557400 -0.127872920000  0.535826150000
  0.004252209700  0.003947807700 -0.001346105500  0.009643455800  1.008723200000
  0.000577616130  0.000136265220  0.000887035110 -0.001169573500  0.159981500000
   14    4
  1.6679554000e3  4.3254474000e2  1.1232144000e2 23.932966000000
      40720.00000000
       8954.00000000
       2867.00000000
       1108.40000000
        481.60000000
        226.30000000
        109.13000000
         56.12000000
         28.83000000
         15.39700000
          8.24000000
          4.42200000
          2.27900000
          1.05430000
  0.005292138100  0.002928630900  0.001568762700  0.000782223230
  0.028329450000  0.015786429000  0.008492192200  0.004273613600
  0.103233350000  0.059315375000  0.032100346000  0.016070641000
  0.261433420000  0.155543700000  0.085190032000  0.043077793000
  0.409130880000  0.253568150000  0.139936790000  0.070289538000
  0.315473130000  0.103595960000  0.037725231000  0.016900192000
  0.074001282000 -0.393841830000 -0.346774760000 -0.199652480000
 -0.011873306000 -0.555141850000 -0.483208930000 -0.269922540000
  0.001071496400 -0.186450860000  0.207494760000  0.199119260000
  0.005822115400 -0.001602825300  0.717842960000  0.691402000000
  0.002963348700 -0.000599747660  0.299426950000  0.080329645000
 -0.002587611900 -0.000575367790  0.022444424000 -0.735112600000
 -0.001428803600 -0.001607847100  0.000649550540 -0.474393450000
 -0.000223926910 -0.000085844848 -0.000317822470 -0.057554127000
   11    2
  1.0337000000e3  2.3564000000e2
       1901.00000000
        579.00000000
        230.00000000
        103.50000000
         50.03000000
         24.67000000
         12.54000000
          6.30200000
          3.18100000
          1.53900000
          0.66430000
  0.015242372000  0.008886050900
  0.092055934000  0.055224958000
  0.281831330000  0.170742380000
  0.444465420000  0.256221360000
  0.306321520000  0.008237088700
  0.068687032000 -0.460805670000
 -0.000241263700 -0.487191110000
  0.000474788640 -0.137537570000
  0.000649700600 -0.005030082200
  0.000550688480 -0.000572673930
  0.000040908352  0.000218865370
    6    1
  1.3565000000e2
        304.30000000
        106.13000000
         45.17000000
         20.72000000
          9.74300000
          4.34100000
  0.023747322000
  0.130097610000
  0.332039610000
  0.442838570000
  0.283869510000
  0.058984333000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
FmQR(5L)-[Xe,4f,5d]
End of Spectral Representation Operator

/Md.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.33el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
MENDELEVIUM (14s,10p,12d,9f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f], [6s5p6d4f1g] recommended
*
* MdQR4K MdQR4K-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: MdQR4K-[Xe,4f]
* mv+dw from MdQR(4K)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                   MdQR4K MdQR4K-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),3.0*Bk(4f) rather than so-correct the basis set
********************************************************************************
    33.0   4
* s-type functions
   14    2
   50468688.00000000
    2969624.93000000
     276997.60400000
      35006.82880000
       4841.46606000
        338.64779800
         61.61269640
         14.69424220
          4.60186223
          3.20648064
       8211.66279e-4
       3817.03787e-4
       8712.31627e-5
        336.20624e-4
 -0.000059004439  0.000016030014
 -0.000355016014  0.000096448268
 -0.001689673160  0.000459047441
 -0.007486902480  0.002033785430
 -0.026310014800  0.007146006250
  0.116781484000 -0.031740008600
 -0.379054829000  0.103971060000
  0.887335107000 -0.251206621000
 -0.573166160000  0.178570278000
 -0.830161728000  0.260012272000
  0.942454473000 -0.422509359000
  0.449613831000 -0.337819561000
  0.012202436000  0.668568159000
 -0.002640789160  0.549023836000
* p-type functions
   10    1
      10673.44810000
       2158.18088000
        611.59253600
         84.36180840
         17.19812700
          4.97954677
          3.36835160
       8019.52448e-4
       3612.67637e-4
          0.14470249
  0.002290730810
  0.014617315800
  0.042250564100
 -0.152094217000
  0.369791450000
 -0.265096934000
 -0.413826884000
  0.614959549000
  0.478118399000
  0.079943232500
* d-type functions
   12    2
       2716.64009000
        776.23732000
        286.60712600
        119.81972500
         26.53091370
         14.24560570
          5.62141078
          2.93774834
          1.40137738
       5328.39595e-4
       1883.64762e-4
       6010.44506e-5
  0.002299127910 -0.000513506799
  0.017790307700 -0.003951658440
  0.070925144200 -0.015879761000
  0.130679554000 -0.028873207400
 -0.290029897000  0.069649410400
 -0.254184331000  0.052839377900
  0.375132571000 -0.111445439000
  0.542138811000 -0.157931956000
  0.233034988000  0.036939181400
  0.021183484600  0.357650889000
 -0.001047896720  0.512964987000
  0.000364892614  0.342872723000
* f-type functions
    9    1
        397.33387100
        134.74436400
         55.10801730
         24.12730170
          5.31678665
          2.54263110
          1.19145020
       5322.46117e-4
       2133.17963e-4
 -0.005379937000
 -0.036524478400
 -0.113423991000
 -0.157926029000
  0.290746863000
  0.410511578000
  0.328614304000
  0.174540095000
  0.047880048400
* g-type functions
    3    1
          4.60600000
          1.60300000
          0.51070000
  0.566806856000
  0.507596880000
  0.205030089000
********************************************************************************
* Core AIMP: MdQR4K MdQR4K-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.9388359000e5  1.7440208000e5  6.1067891000e4  2.3257312000e4  9.3325235000e3  3.7793746000e3  1.6080093000e3  7.7030454000e2  2.9105699000e2  1.5174826000e2 31.510376000000
 16.686085000000  7.188342300000  3.887046600000  0.135661000000
  0.026497441515  0.020056831515  0.030329042424  0.043240800000  0.055709618182  0.073843900000  0.128239333333  0.150136233333  0.130076421212  0.399242696970  0.591085484848
  0.158611724242  0.215506760606  0.038021775758  0.000008000685
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  1.0857001000e4  2.1220987000e3  5.5821148000e2  1.5347212000e2 36.968770000000
   17867413.00000000
    1732261.90000000
     300327.76000000
      70755.93500000
      20377.00200000
       6800.39400000
       2544.83670000
       1042.64170000
        453.20761000
        212.44005000
         91.28506700
         48.44926300
         21.91442000
         12.33764000
          5.86347330
          3.24101950
          1.58300000
  0.005237019000  0.002312835200  0.001136110800  0.000600193490  0.000310365060
  0.015294374000  0.006840709100  0.003380078200  0.001784021300  0.000922849180
  0.038569228000  0.017729643000  0.008756135500  0.004638144900  0.002399483800
  0.089861739000  0.042514656000  0.021261033000  0.011242109000  0.005820233200
  0.190084050000  0.094513454000  0.047262284000  0.025150426000  0.013024010000
  0.331652480000  0.174654820000  0.089508946000  0.047535945000  0.024653258000
  0.380754160000  0.215005560000  0.109114560000  0.058648992000  0.030415463000
  0.184949740000 -0.014006129000 -0.028698033000 -0.020345184000 -0.011186558000
 -0.009572513700 -0.506572970000 -0.458578610000 -0.281224700000 -0.152135500000
 -0.028005561000 -0.520515370000 -0.539822590000 -0.363257080000 -0.201618440000
  0.008483754700 -0.091403174000  0.488608840000  0.565532320000  0.363582180000
  0.024692086000  0.032379742000  0.781181000000  1.029348800000  0.706747710000
 -0.005543820800 -0.011632136000  0.138531870000 -0.521201260000 -0.590618660000
 -0.012445196000 -0.002822943700 -0.027209393000 -0.949928030000 -1.349649500000
  0.000840812660 -0.002106867000  0.008260593900 -0.128112970000  0.545150860000
  0.004344539500  0.004076291000 -0.001508698600  0.009356607400  1.008045400000
  0.000601717460  0.000141821420  0.000939026740 -0.001124101600  0.159220290000
   14    4
  1.7098033000e3  4.4494642000e2  1.1608808000e2 24.787001000000
      42760.00000000
       9391.00000000
       3003.00000000
       1159.30000000
        503.10000000
        236.10000000
        113.57000000
         58.35000000
         29.99000000
         16.01900000
          8.58200000
          4.60700000
          2.37200000
          1.09570000
  0.005215689000  0.002892487800  0.001553769100  0.000778132970
  0.027733430000  0.015483089000  0.008348799600  0.004219727400
  0.100984720000  0.058109839000  0.031530268000  0.015853420000
  0.256995880000  0.152973450000  0.083952532000  0.042633231000
  0.407046710000  0.252547090000  0.139757560000  0.070512457000
  0.321232480000  0.111337890000  0.042867329000  0.019673695000
  0.078376297000 -0.383920650000 -0.339405100000 -0.196451720000
 -0.012351900000 -0.559815170000 -0.490449460000 -0.275875250000
  0.001083053500 -0.193043190000  0.192296930000  0.189558960000
  0.005871419400 -0.002275313500  0.720615410000  0.698099640000
  0.003226457700 -0.000466265650  0.306966660000  0.091839608000
 -0.002710095100 -0.000634104950  0.023591713000 -0.736442640000
 -0.001470873700 -0.001657165200  0.000646160990 -0.478880750000
 -0.000237332420 -0.000093923589 -0.000317460420 -0.058368384000
   11    2
  1.0628000000e3  2.4386000000e2
       1992.00000000
        606.10000000
        240.70000000
        108.30000000
         52.37000000
         25.83000000
         13.15000000
          6.63000000
          3.35100000
          1.62100000
          0.69880000
  0.014647938000  0.008570707400
  0.088906174000  0.053533897000
  0.275335600000  0.167424860000
  0.442322950000  0.257288950000
  0.313717490000  0.020554045000
  0.073392316000 -0.451799180000
 -0.000146530490 -0.494549550000
  0.000519374300 -0.144278720000
  0.000628885760 -0.005899709300
  0.000594528770 -0.000574586350
  0.000041174715  0.000212929160
    6    1
  1.4166000000e2
        315.10000000
        109.92000000
         46.81000000
         21.50000000
         10.12800000
          4.51800000
  0.023394647000
  0.128897070000
  0.330894010000
  0.443461920000
  0.284622250000
  0.058845287000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
MdQR(4K)-[Xe,4f,5d]
End of Spectral Representation Operator

/No.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.34el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
NOBELIUM (14s,10p,12d,9f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f], [6s5p6d4f1g] recommended
*
* NoQR3H NoQR3H-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: NoQR3H-[Xe,4f]
* mv+dw from NoQR(3H)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  NoQR3H NoQR3H-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),3.0*Bk(4f) rather than so-correct the basis set
********************************************************************************
    34.0   4
* s-type functions
   14    2
   55862222.30000000
    3273682.47000000
     302677.51100000
      37699.73290000
       5007.13864000
        348.69102400
         63.77703750
         15.22383030
          4.77328825
          3.32395882
       8544.96375e-4
       3959.10336e-4
          0.09031440
       3473.09277e-5
 -0.000059512333  0.000016097399
 -0.000356909011  0.000096539072
 -0.001691491100  0.000457536186
 -0.007506698450  0.002030223230
 -0.027181188700  0.007350251050
  0.117266094000 -0.031727459600
 -0.380637215000  0.103945137000
  0.893554639000 -0.251947507000
 -0.600800926000  0.186464770000
 -0.806661786000  0.251367068000
  0.943121125000 -0.420049140000
  0.448602476000 -0.337590840000
  0.012143943100  0.667489784000
 -0.002607042580  0.549777094000
* p-type functions
   10    1
      11037.74910000
       2225.12757000
        629.01145300
         86.63142890
         17.72665310
          5.32321809
          3.56237957
       8273.16428e-4
       3723.65614e-4
       1492.18069e-4
  0.002313029110
  0.014735454600
  0.042606329700
 -0.153143264000
  0.372556693000
 -0.230242870000
 -0.447540407000
  0.612994221000
  0.477482392000
  0.081021290600
* d-type functions
   12    2
       2792.29195000
        797.10478800
        294.17855200
        122.98202300
         27.23934360
         14.65877360
          5.80350868
          3.02344887
          1.43595018
       5365.91829e-4
       1862.73325e-4
       5836.23616e-5
  0.002314575690 -0.000495709758
  0.017903197400 -0.003813531530
  0.071446534500 -0.015339324300
  0.131835055000 -0.027933116300
 -0.293589652000  0.067683058100
 -0.254240221000  0.050454128700
  0.381227697000 -0.108308763000
  0.542757029000 -0.151379878000
  0.228692070000  0.039561952000
  0.019839053600  0.352047643000
 -0.001039221460  0.511563316000
  0.000368789535  0.355700660000
* f-type functions
    9    1
        411.18303500
        139.43383000
         57.05562050
         25.01509890
          5.53629202
          2.64961254
          1.24169396
       5548.38239e-4
          0.22261783
 -0.005374032340
 -0.036671129600
 -0.114520910000
 -0.160263083000
  0.294212164000
  0.411536439000
  0.326363582000
  0.171947767000
  0.046777298400
* g-type functions
    3    1
          4.79900000
          1.67400000
          0.53430000
  0.570379252000
  0.504809016000
  0.202541846000
********************************************************************************
* Core AIMP: NoQR3H NoQR3H-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.4057379000e5  1.6552375000e5  5.9118201000e4  2.2838462000e4  9.2554685000e3  3.7824256000e3  1.6280371000e3  7.8543584000e2  2.9787649000e2  1.5597870000e2 32.409296000000
 17.015856000000  7.419530300000  4.014518700000  0.036452100000
  0.027047632353  0.019899088824  0.029804550000  0.042144617647  0.053928697059  0.071906894118  0.124678761765  0.143711358824  0.126360058824  0.386759617647  0.577581264706
  0.151334735294  0.208541058824  0.036294779412  0.000006863691
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  1.1136313000e4  2.1854013000e3  5.7624541000e2  1.5905205000e2 38.421193000000
   20177413.00000000
    1943261.90000000
     333527.76000000
      77935.93500000
      22297.00200000
       7391.39400000
       2748.83670000
       1124.24160000
        480.90761000
        223.54005000
         95.18506800
         50.54926300
         22.85442000
         12.90964000
          6.15047330
          3.40801950
          1.66500000
  0.005214236700  0.002315344400  0.001138296200  0.000602322640  0.000312669600
  0.015118144000  0.006793310100  0.003358325300  0.001775727500  0.000921979520
  0.037872248000  0.017487892000  0.008643463000  0.004585311400  0.002381466700
  0.087512075000  0.041542784000  0.020780921000  0.011008401000  0.005720028600
  0.184460060000  0.091998208000  0.046029191000  0.024527326000  0.012751946000
  0.324720110000  0.170740880000  0.087426840000  0.046510078000  0.024204923000
  0.382534300000  0.215940360000  0.109677320000  0.058988005000  0.030722007000
  0.198115210000  0.002140053600 -0.018525382000 -0.014436950000 -0.008129660800
 -0.004413227600 -0.494691500000 -0.445012480000 -0.273146110000 -0.148216540000
 -0.030662293000 -0.535366870000 -0.554370540000 -0.372095130000 -0.207298930000
  0.008617020900 -0.098314371000  0.465733400000  0.541843490000  0.350491420000
  0.025245050000  0.034823786000  0.793549940000  1.045274400000  0.719956370000
 -0.004886026000 -0.012458528000  0.144899970000 -0.491505390000 -0.564126330000
 -0.013354328000 -0.002569483100 -0.028425751000 -0.967717510000 -1.375543600000
  0.000854351260 -0.002541948200  0.008495969300 -0.135322160000  0.518507640000
  0.004479384500  0.004385506700 -0.001508155400  0.009885776600  1.024307600000
  0.000670388640  0.000146463330  0.000976692550 -0.001201698600  0.167403450000
   14    4
  1.7522990000e3  4.5755693000e2  1.1991639000e2 25.651915000000
      43990.00000000
       9621.00000000
       3070.00000000
       1183.50000000
        513.20000000
        240.80000000
        115.90000000
         59.55000000
         30.58000000
         16.36400000
          8.77000000
          4.72000000
          2.43200000
          1.12290000
  0.005293529000  0.002941880000  0.001584067900  0.000796835120
  0.028064002000  0.015703320000  0.008490602500  0.004307841300
  0.101870080000  0.058744448000  0.031952813000  0.016135758000
  0.258485050000  0.154139930000  0.084818200000  0.043240522000
  0.407684150000  0.253001090000  0.140258960000  0.071068275000
  0.319687240000  0.108354350000  0.040782120000  0.018525920000
  0.076961036000 -0.388045010000 -0.344415510000 -0.200251040000
 -0.012633038000 -0.558416620000 -0.488836480000 -0.276190080000
  0.001157456100 -0.190084520000  0.202346120000  0.199703640000
  0.006154561800 -0.001262296000  0.721854490000  0.705089960000
  0.003156399400 -0.000608195720  0.300033530000  0.073201637000
 -0.002799112600 -0.000659783600  0.022161759000 -0.741720560000
 -0.001490973800 -0.001691804900  0.000651739100 -0.469254600000
 -0.000234232640 -0.000088859386 -0.000315896390 -0.056082219000
   11    2
  1.0923300000e3  2.5218000000e2
       2025.00000000
        615.90000000
        244.60000000
        110.10000000
         53.26000000
         26.30000000
         13.42000000
          6.78300000
          3.43200000
          1.66200000
          0.71620000
  0.014898790000  0.008754505800
  0.090117333000  0.054481091000
  0.277754500000  0.169566400000
  0.443114800000  0.258061070000
  0.310934890000  0.015305685000
  0.071489128000 -0.457374710000
 -0.000304993580 -0.490288450000
  0.000507485110 -0.140047970000
  0.000673388830 -0.005633409200
  0.000588709210 -0.000536782560
  0.000042685815  0.000194087070
    6    1
  1.4775000000e2
        326.10000000
        113.86000000
         48.55000000
         22.33000000
         10.53300000
          4.70200000
  0.023046446000
  0.127459770000
  0.329125300000
  0.444163080000
  0.286015970000
  0.058915331000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
NoQR(3H)-[Xe,4f,5d]
End of Spectral Representation Operator

/Lr.CG-AIMP.Seijo.14s10p12d9f3g.2s1p2d1f1g.ECP.35el.
L. Seijo, Z. Barandiaran, B. Ordejon. Mol. Phys. 101 (2003) 73-80. doi:10.1080/00268970210158740
LAWRENCIUM (14s,10p,12d,9f,3g) -> [2s,1p,2d,1f,1g]
********************************************************************************
*relativistic core=[Xe,4f], [6s5p6d4f1g] recommended
*
* LrQR2D LrQR2D-[Xe,4f]BkSOC (14s10p12d9f)
*
* core-AIMP: LrQR2D-[Xe,4f]
* mv+dw from LrQR(2D)-[Xe,4f,5d]
* v.basis.s: (14s10p12d9f) /recommended[6s5p6d4f]
*            s,p,f exponents from core [Xe,4f,5d]
*            d exponents and all coeficients optimized in
*                  LrQR2D LrQR2D-[Xe,4f] (14s10p12d9f)
*     BkSOC: 3.0*Bk(3d,4d),3.0*Bk(4f) rather than so-correct the basis set
********************************************************************************
    35.0   4
* s-type functions
   14    2
   62503247.20000000
    3638942.64000000
     332360.03700000
      40668.36190000
       5172.72205000
        359.00605400
         66.01698870
         15.76165060
          4.95153191
          3.42057356
       8942.62612e-4
       4142.57844e-4
       9438.27455e-5
       3628.55981e-5
 -0.000059478870  0.000016114300
 -0.000356378023  0.000096550752
 -0.001686186270  0.000456839572
 -0.007510823530  0.002034538730
 -0.028059280800  0.007599478360
  0.117483028000 -0.031825261900
 -0.381500498000  0.104326094000
  0.899425205000 -0.254068773000
 -0.638455336000  0.198344899000
 -0.775949688000  0.242397405000
  0.936690908000 -0.415856962000
  0.456923461000 -0.345262108000
  0.012680400400  0.668532281000
 -0.002718535310  0.550144720000
* p-type functions
   10    1
      11414.14150000
       2294.56296000
        647.05025300
         88.96062550
         18.25933340
          5.65695701
          3.74222237
       8509.73767e-4
       3817.75264e-4
       1525.37284e-4
  0.002335149850
  0.014845814400
  0.042961488400
 -0.154104956000
  0.375233897000
 -0.206572281000
 -0.470094271000
  0.614176598000
  0.475574956000
  0.080075414700
* d-type functions
   12    2
       2867.51506000
        817.92812400
        301.73440000
        126.14495700
         28.00433300
         15.18227350
          5.91172164
          3.06289803
          1.44363441
       5193.23017e-4
       1740.10023e-4
       5279.40328e-5
  0.002331914150 -0.000457686734
  0.018024099100 -0.003520032160
  0.071980358400 -0.014162254400
  0.132920188000 -0.025824260600
 -0.295057204000  0.062531791300
 -0.253730374000  0.045659743100
  0.397054911000 -0.102729292000
  0.539758380000 -0.137586225000
  0.217317025000  0.046143803600
  0.016919100100  0.342512588000
 -0.001056737770  0.507416502000
  0.000350838156  0.379774711000
* f-type functions
    9    1
        425.08515400
        144.16592800
         59.02646920
         25.91235590
          5.76302721
          2.76539042
          1.29965921
       5824.92432e-4
       2344.95676e-4
 -0.005371148150
 -0.036811263500
 -0.115571519000
 -0.162538003000
  0.296741612000
  0.411425140000
  0.324312426000
  0.170271710000
  0.046003328300
* g-type functions
    3    1
          4.99300000
          1.74600000
          0.55960000
  0.574096713000
  0.501937071000
  0.199428325000
********************************************************************************
* Core AIMP: LrQR2D LrQR2D-[Xe,4f]BkSOC (14s10p12d9f)
*
* Local Potential Parameters: (ECP convention)
*                     A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.6480089000e5  1.7135755000e5  6.1045421000e4  2.3498192000e4  9.4809565000e3  3.8640216000e3  1.6650306000e3  8.0451774000e2  3.0558229000e2  1.6033862000e2 33.334756000000
 17.326105000000  7.633071300000  4.122577700000  0.007611000000
  0.026257276571  0.019353377429  0.029007945714  0.041072311429  0.052574700000  0.070231051429  0.121442360000  0.138718471429  0.122848142857  0.375334771429  0.564407028571
  0.145561311429  0.202095285714  0.033947528571  0.000005596064
M2
  0
COREREP
 1.0
PROJOP
    3
   17    5
  1.1422036000e4  2.2504788000e3  5.9478244000e2  1.6479089000e2 39.919837000000
   20957413.00000000
    2013261.90000000
     344227.76000000
      80105.93500000
      22887.00200000
       7586.39400000
       2819.83670000
       1151.64170000
        494.00761000
        229.84005000
         97.76506800
         51.92926300
         23.44442000
         13.25864000
          6.30247330
          3.48401950
          1.70200000
  0.005460964800  0.002438587800  0.001199808000  0.000635902490  0.000331276930
  0.015671400000  0.007082355100  0.003503825700  0.001855762200  0.000967172480
  0.038980147000  0.018097762000  0.008951717700  0.004756554600  0.002478927900
  0.089268109000  0.042625513000  0.021340982000  0.011324155000  0.005907083400
  0.186144410000  0.093319966000  0.046720208000  0.024936953000  0.013008000000
  0.324992160000  0.171513740000  0.087879059000  0.046822183000  0.024466794000
  0.381348560000  0.214258590000  0.108555480000  0.058447873000  0.030518757000
  0.196896490000 -0.002606199900 -0.022013240000 -0.016558843000 -0.009247415400
 -0.005444860300 -0.495440480000 -0.446915490000 -0.274936110000 -0.149921700000
 -0.031066976000 -0.532376420000 -0.548408610000 -0.368458300000 -0.205803970000
  0.008976586500 -0.097305507000  0.471644400000  0.551513900000  0.358149650000
  0.025907895000  0.035446541000  0.789131440000  1.039105100000  0.720541450000
 -0.005387913300 -0.012875610000  0.142766170000 -0.507997040000 -0.591831540000
 -0.013603116000 -0.002717493400 -0.028848913000 -0.959313770000 -1.369088800000
  0.001101058500 -0.002388635600  0.008648604700 -0.130363430000  0.564177860000
  0.004537461100  0.004441449700 -0.001494333700  0.009909016200  1.002715800000
  0.000641250850  0.000126110560  0.000974703800 -0.001197125000  0.156361740000
   14    4
  1.7954560000e3  4.7038511000e2  1.2381381000e2 26.535041000000
      45550.00000000
       9941.00000000
       3170.00000000
       1221.90000000
        529.50000000
        248.20000000
        119.57000000
         61.42000000
         31.56000000
         16.88300000
          9.04700000
          4.87800000
          2.51400000
          1.16110000
  0.005319299900  0.002961522900  0.001598715300  0.000807463870
  0.028038089000  0.015725741000  0.008523294900  0.004340399800
  0.101318190000  0.058520409000  0.031910029000  0.016178035000
  0.256907970000  0.153418380000  0.084608953000  0.043293168000
  0.407065740000  0.252633030000  0.140357250000  0.071400845000
  0.321577690000  0.110887820000  0.042406781000  0.019394642000
  0.078227011000 -0.384102630000 -0.342016170000 -0.199728550000
 -0.012705993000 -0.560157600000 -0.492389310000 -0.279797910000
  0.000973076110 -0.192786970000  0.197550840000  0.198159830000
  0.006463953000 -0.001423692300  0.724798090000  0.712184470000
  0.003183729200 -0.000512051700  0.301077370000  0.071314936000
 -0.002861111000 -0.000737559800  0.022016106000 -0.743819450000
 -0.001541940700 -0.001724797800  0.000686488210 -0.467867880000
 -0.000238075580 -0.000094641707 -0.000321419700 -0.055970334000
   11    2
  1.1222400000e3  2.6064000000e2
       2096.00000000
        636.80000000
        252.70000000
        113.70000000
         55.01000000
         27.18000000
         13.89000000
          7.03600000
          3.56500000
          1.72800000
          0.74520000
  0.014643679000  0.008637131100
  0.088803080000  0.053881462000
  0.275262490000  0.168663790000
  0.442413080000  0.259011370000
  0.313774650000  0.019792145000
  0.073265143000 -0.454890300000
 -0.000324517670 -0.492620460000
  0.000529064080 -0.141763850000
  0.000679027390 -0.005940716000
  0.000611980570 -0.000534004640
  0.000043693132  0.000186095250
    6    1
  1.5496000000e2
        339.20000000
        118.46000000
         50.53000000
         23.26000000
         10.98500000
          4.90700000
  0.022443963000
  0.125165380000
  0.326472470000
  0.444937350000
  0.288699810000
  0.059689115000
Spectral Representation Operator
Valence primitive basis
Exchange
1stOrder Relativistic Correction
LrQR(2D)-[Xe,4f,5d]
End of Spectral Representation Operator
