************************************************************************
* 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.2. Non-relativistic core AIMPs: NR-AIMP
********************************************************************************
*                                                                 recommended
*                                                                 contraction
*       C.2.1. Main Group Elements
*         C.2.1.1. Alkaline Elements
*           /Li.NR-AIMP.Huzinaga.5s1p.1s1p.ECP.1el.                   2s1p
*           /Na.NR-AIMP.Huzinaga.7s6p.1s2p.ECP.7el.                   2s3p
*           /K.NR-AIMP.Huzinaga.9s7p.1s2p.ECP.7el.                    2s3p
*           /Rb.NR-AIMP.Huzinaga.11s9p6d.1s2p1d.ECP.7el.              2s3p1d
*           /Cs.NR-AIMP.Huzinaga.13s11p8d.1s2p1d.ECP.7el.             3s3p1d
*         C.2.1.2. Alkaline Earth Elements
*           /Be.NR-AIMP.Huzinaga.5s1p.1s1p.ECP.2el.                   2s1p
*           /Mg.NR-AIMP.Seijo.7s6p1d.1s2p1d.ECP.8el.                  2s3p1d
*           /Ca.NR-AIMP.Seijo.9s7p5d.1s2p3d.ECP.8el.                  2s3p3d
*           /Sr.NR-AIMP.Seijo.11s9p7d.1s2p1d.ECP.8el.                 3s3p3d
*           /Ba.NR-AIMP.Seijo.13s11p8d.1s2p1d.ECP.8el.                3s3p3d
*         C.2.1.3. Group IIIA Elements
*           /B.NR-AIMP.Huzinaga.5s5p1d.1s1p1d.ECP.3el.                2s3p1d
*           /Al.NR-AIMP.Huzinaga.7s6p1d.1s1p1d.ECP.3el.               2s3p1d
*           /Ga.NR-AIMP.Huzinaga.9s8p4d.1s1p2d.ECP.3el.               3s3p2d
*           /In.NR-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.13el.         3s3p3d
*           /Tl.NR-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.13el.     3s4p3d2f
*         C.2.1.4. Group IVA Elements
*           /C.NR-AIMP.Huzinaga.5s5p1d.1s1p1d.ECP.4el.                2s3p1d
*           /Si.NR-AIMP.Huzinaga.7s6p1d.1s1p1d.ECP.4el.               2s3p1d
*           /Ge.NR-AIMP.Huzinaga.9s8p4d.1s1p2d.ECP.4el.               3s3p2d
*           /Sn.NR-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.14el.         3s3p3d
*           /Pb.NR-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.14el.     3s4p3d2f
*         C.2.1.5. Group VA Elements
*           /N.NR-AIMP.Huzinaga.5s5p1d.1s1p1d.ECP.5el.                2s3p1d
*           /P.NR-AIMP.Huzinaga.7s6p1d.1s1p1d.ECP.5el.                2s3p1d
*           /As.NR-AIMP.Huzinaga.9s8p4d.1s1p2d.ECP.5el.               3s3p2d
*           /Sb.NR-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.15el.         3s3p3d
*           /Bi.NR-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.15el.     3s4p3d2f
*         C.2.1.6. Group VIA Elements (Calcogens)
*           /O.NR-AIMP.Huzinaga.5s6p1d.1s2p1d.ECP.6el.                2s4p1d
*           /S.NR-AIMP.Huzinaga.7s6p1d.1s1p1d.ECP.6el.                2s3p1d
*           /Se.NR-AIMP.Huzinaga.9s8p4d.1s1p2d.ECP.6el.               3s3p2d
*           /Te.NR-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.16el.         3s3p3d
*           /Po.NR-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.16el.     3s4p3d2f
*         C.2.1.7. Group VIIA Elements (Halogens)
*           /F.NR-AIMP.Huzinaga.5s6p1d.1s2p1d.ECP.7el.                2s4p1d
*           /Cl.NR-AIMP.Huzinaga.7s7p1d.1s2p1d.ECP.7el.               2s4p1d
*           /Br.NR-AIMP.Huzinaga.9s8p4d.1s1p2d.ECP.7el.               3s4p2d
*           /I.NR-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.17el.          3s4p3d
*           /At.NR-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.17el.     3s4p3d2f
*         C.2.1.8. Group 0 Elements (Noble Gases)
*           /Ne.NR-AIMP.Huzinaga.5s5p1d.1s1p1d.ECP.8el.               2s3p1d
*           /Ar.NR-AIMP.Huzinaga.7s6p1d.1s1p1d.ECP.8el.               2s3p1d
*           /Kr.NR-AIMP.Huzinaga.9s8p4d.1s1p2d.ECP.8el.               3s3p2d
*           /Xe.NR-AIMP.Barandiaran.11s10p7d.1s1p2d.ECP.18el.         3s3p3d
*           /Rn.NR-AIMP.Barandiaran.13s12p8d5f.1s1p2d1f.ECP.18el.     3s4p3d2f
*       C.2.2. Transition Metal Elements
*         C.2.2.1. First Series Transition Metal Elements
*           /Sc.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.9el.                  3s3p4d
*           /Ti.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.10el.                 3s3p4d
*           /V.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.11el.                  3s3p4d
*           /Cr.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.12el.                 3s3p4d
*           /Mn.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.13el.                 3s3p4d
*           /Fe.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.14el.                 3s3p4d
*           /Co.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.15el.                 3s3p4d
*           /Ni.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.16el.                 3s3p4d
*           /Cu.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.17el.                 3s3p4d
*           /Zn.NR-AIMP.Seijo.9s6p5d.1s2p1d.ECP.18el.                 3s3p3d
*         C.2.2.2. Second Series Transition Metal Elements
*           /Y.NR-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.9el.            3s3p4d
*           /Zr.NR-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.10el.          3s3p4d
*           /Nb.NR-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.11el.          3s3p4d
*           /Mo.NR-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.12el.          3s3p4d
*           /Tc.NR-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.13el.          3s3p4d
*           /Ru.NR-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.14el.          3s3p4d
*           /Rh.NR-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.15el.          3s3p4d
*           /Pd.NR-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.16el.          3s3p4d
*           /Ag.NR-AIMP.Barandiaran.11s8p7d.1s2p2d.ECP.17el.          3s3p4d
*           /Cd.NR-AIMP.Barandiaran.11s8p6d.1s2p1d.ECP.18el.          3s3p3d
*         C.2.2.3 Lanthanum and Third Series Transition Metal Elements
*           /La.NR-AIMP.Casarrubios.13s10p8d.1s2p2d.ECP.9el.          3s3p3d
*           /Hf.NR-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.10el.     3s3p4d2f
*           /Ta.NR-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.11el.     3s3p4d2f
*           /W.NR-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.12el.      3s3p4d2f
*           /Re.NR-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.13el.     3s3p4d2f
*           /Os.NR-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.14el.     3s3p4d2f
*           /Ir.NR-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.15el.     3s3p4d2f
*           /Pt.NR-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.16el.     3s3p4d2f
*           /Au.NR-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.17el.     3s3p4d2f
*           /Hg.NR-AIMP.Casarrubios.13s10p9d5f.1s2p2d1f.ECP.18el.     3s3p4d2f
********************************************************************************
*
* - 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.2.1. Main Group Elements
********************************************************************************

********************************************************************************
*         C.2.1.1. Alkaline Elements
********************************************************************************

/Li.NR-AIMP.Huzinaga.5s1p.1s1p.ECP.1el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
LITHIUM (5s,1p) -> [1s,1p]
********************************************************************************
*core[He] val[2s]     (41/1*)=2s1p recommended
*LI-S(5/1)                     (41/1) recommended
********************************************************************************
     1.0   1
* s-type functions
    5    1
         30.38141270
          4.49014925
       8668.38002e-4
       6301.46574e-5
       2432.36319e-5
 -0.013572912500
 -0.076451127700
 -0.191717144000
  0.684843845000
  0.389591682000
* p-type functions
    1    1
          0.07600000
  1.000000000000
********************************************************************************
* Core AIMP: LI-1S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  8
  1.9777587000e5  1.7359376000e4  2.5898142000e3  4.7985840000e2  1.0099238000e2 23.344189000000  6.031374800000  1.824793300000
  0.012836590000  0.023658825000  0.052932288000  0.113405280000  0.243128080000  0.524191860000  0.766184490000  0.263662590000
M2
  0
COREREP
 1.0
PROJOP
    0
   14    1
  4.955470400000
      22419.73600000
       3411.92060000
        791.56798000
        230.19930000
         77.24497200
         28.21535300
         10.94532000
          4.45550990
          1.89123490
          0.84168088
          0.38245884
          0.10712717
        494.89457e-4
        220.97232e-4
  0.000025371339
  0.000192293190
  0.000980069990
  0.003938982200
  0.013645109000
  0.042188668000
  0.111024210000
  0.231957520000
  0.348555930000
  0.307358130000
  0.100608800000
  0.002648971200
 -0.000296084850
  0.000314285710
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Na.NR-AIMP.Huzinaga.7s6p.1s2p.ECP.7el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
SODIUM (7s,6p) -> [1s,2p]
********************************************************************************
* L.S. and Z.B., unpublished.
*core[Be] val[2p,3s]   (61/411*)=2s3p recommended
*NA-PS(7/51)                   (61/411)
********************************************************************************
     7.0   1
* s-type functions
    7    1
        630.90424600
         94.88866070
         20.91960790
          1.71375373
       5085.22906e-4
       5852.40252e-5
          0.02329278
  0.002083493300
  0.013809422300
  0.039910299200
 -0.126419321000
 -0.195880672000
  0.638329841000
  0.460086346000
* p-type functions
    6    2
         75.99705940
         17.39750200
          5.21351089
          1.66709773
       5137.24518e-4
          0.06100000
  0.015253770600  0.000000000000
  0.098947654000  0.000000000000
  0.311271401000  0.000000000000
  0.493616484000  0.000000000000
  0.325234288000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: NA-2S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.7866900000e5  3.3464300000e4  6.3522800000e3  1.4943700000e3  4.1934200000e2  1.3429400000e2 46.721000000000 10.177600000000  3.676900000000  1.481600000000
  0.006677747286  0.009851848714  0.019858291429  0.037290198571  0.068187808571  0.105697198571  0.085167694286  0.068416807143  0.129828790000  0.040452185714
M2
  0
COREREP
 1.0
PROJOP
    0
   16    2
 80.956600000000  5.593742000000
     415780.43000000
      62811.13100000
      14035.58500000
       3975.69790000
       1265.43380000
        431.89542000
        155.14008000
         58.74279400
         23.33614200
          9.66402140
          4.01741670
          1.66983170
          0.69327959
          0.27766610
        690.40233e-4
        265.17216e-4
  0.000018211947 -0.000004448299
  0.000143837470 -0.000035114292
  0.000763566660 -0.000186707730
  0.003233215600 -0.000791255480
  0.012308099000 -0.003035642700
  0.042705574000 -0.010701747000
  0.127230980000 -0.033447901000
  0.292007470000 -0.085698088000
  0.415839130000 -0.161321420000
  0.234262660000 -0.143651390000
  0.022707886000  0.148323160000
  0.002963215800  0.515492150000
 -0.000555255170  0.438286610000
  0.000439850920  0.064288864000
 -0.000137933910 -0.001582442300
  0.000052767263  0.000755024680
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/K.NR-AIMP.Huzinaga.9s7p.1s2p.ECP.7el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
POTASSIUM (9s,7p) -> [1s,2p]
********************************************************************************
* L.S. and Z.B., unpublished.
*core[Mg] val[3p,4s]     (81/511*)=2s3p recommended
*K-PS(9/61)                    (81/511)
********************************************************************************
     7.0   1
* s-type functions
    9    1
       1950.33224000
        293.87667000
         65.84539890
          6.47193878
          3.32335838
       6962.35794e-4
       2481.92742e-4
       3849.45717e-5
       1661.28084e-5
 -0.001015597440
 -0.006899194030
 -0.020721481900
  0.068016233500
  0.062447272800
 -0.197389404000
 -0.269372455000
  0.688769833000
  0.446922353000
* p-type functions
    7    2
        125.06453100
         28.65704550
          8.30908820
          1.02535092
       4011.66266e-4
       1580.26165e-4
          0.03900000
 -0.017050229300  0.000000000000
 -0.096385117100  0.000000000000
 -0.208744350000  0.000000000000
  0.468647697000  0.000000000000
  0.499527513000  0.000000000000
  0.146916817000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: K-3S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.9911500000e5  3.8393500000e4  7.9766100000e3  2.0747100000e3  6.2681700000e2  2.1076900000e2 66.484200000000 22.956400000000  9.723750000000  1.947320000000  0.819449000000
  0.017585765714  0.024492154286  0.045965665714  0.083124381429  0.140924278571  0.181042771429  0.202410200000  0.439370142857  0.337459242857  0.160859100000  0.081052002857
M2
  0
COREREP
 1.0
PROJOP
    1
   19    3
  2.6706556000e2 28.979486000000  3.497167600000
    1219069.70000000
     217894.50000000
      54252.06000000
      14848.54300000
       4370.44000000
       1414.40480000
        499.89550000
        191.61460000
         77.06294700
         32.23450500
         13.53878800
          5.74990920
          2.49240410
          1.04438230
          0.45124851
          0.18453594
          0.11350696
        344.46618e-4
        149.15923e-4
  0.000017776155 -0.000005104288  0.000001683947
  0.000108448340 -0.000031175663  0.000010253767
  0.000547513180 -0.000157265450  0.000051942280
  0.002636181800 -0.000759745910  0.000249840590
  0.011077250000 -0.003207141400  0.001060439300
  0.040159291000 -0.011860645000  0.003907467600
  0.119225330000 -0.036858442000  0.012283698000
  0.274884200000 -0.095560140000  0.031948492000
  0.412288610000 -0.186296650000  0.064957089000
  0.257743990000 -0.181111120000  0.064729932000
  0.031201105000  0.182381920000 -0.069638876000
  0.002024906400  0.652322080000 -0.377580080000
 -0.000887451420  0.328612650000 -0.314556810000
  0.000668952330  0.006859149200  0.435165280000
 -0.000542691220  0.008516125300  0.683230170000
  0.000456114030 -0.005967116000  0.194426460000
 -0.000286070430  0.003836057100 -0.023918309000
  0.000059896026 -0.000810617070  0.004225901800
 -0.000020237478  0.000272523670 -0.001011644600
   11    1
 23.038022000000
       1414.40480000
        499.89550000
        191.61460000
         77.06294700
         32.23450500
         13.53878800
          5.74990920
          2.49240410
          1.04438230
          0.45124851
          0.18453594
  0.000804898890
  0.003257830400
  0.015932073000
  0.058627737000
  0.175327980000
  0.364253960000
  0.413069310000
  0.160743750000
  0.009477740900
  0.001022626300
 -0.000220678530
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Rb.NR-AIMP.Huzinaga.11s9p6d.1s2p1d.ECP.7el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
RUBIDIUM (11s,9p,6d) -> [1s,2p,1d]
********************************************************************************
* L.S. and Z.B., unpublished.
*core[Zn] val[4p,5s]  (10,1/711*/6o)=2s3p1d recomm.
*
* - (6o) d orthogonality function is the 3d core orbital
*
*RB-PS(A1/81/6)                (A01/711/6)
********************************************************************************
     7.0   2
* s-type functions
   11    1
       7977.10069000
       1190.95839000
        266.61923700
         28.55993000
         14.38542250
          6.05945327
          2.79363750
       5060.49385e-4
       1944.75024e-4
       3405.98185e-5
        150.38931e-4
  0.000466665503
  0.003300613170
  0.010596962800
 -0.040522243400
 -0.027498780700
  0.038321466100
  0.146173093000
 -0.239569373000
 -0.288606487000
  0.698381011000
  0.456426803000
* p-type functions
    9    2
        642.55549800
        150.40028300
         46.51113500
          6.70894986
          3.03711453
       8218.80053e-4
       3577.99388e-4
       1434.59761e-4
          0.03400000
  0.005368702360  0.000000000000
  0.034248837200  0.000000000000
  0.084812388700  0.000000000000
 -0.204667452000  0.000000000000
 -0.198419142000  0.000000000000
  0.369683819000  0.000000000000
  0.563540488000  0.000000000000
  0.218231050000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    1
        111.59500000
         34.28250000
         13.31510000
          5.59705000
          2.38971000
          0.94742000
  0.026656085200
  0.133884528000
  0.319212406000
  0.422376305000
  0.302249848000
  0.074456183800
********************************************************************************
* Core AIMP: RB-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.6054400000e5  5.3412900000e4  1.2225620000e4  3.3960000000e3  1.0834860000e3  3.5453600000e2  1.2154660000e2 52.189700000000 14.245200000000  6.511370000000  1.965520000000
  0.711529000000
  0.041561692857  0.051886792857  0.096033642857  0.167497700000  0.247090185714  0.296728100000  0.580275214286  0.551984985714  0.828553685714  1.058155585714  0.244668957143
  0.121277730000
M2
  0
COREREP
 1.0
PROJOP
    2
   22    4
  1.1029138000e3  1.5009834000e2 24.265823000000  3.046726900000
    9160644.80000000
    1418114.30000000
     347654.22000000
      94658.06800000
      28524.90200000
       9094.21270000
       3164.14900000
       1201.90090000
        489.76240000
        210.50229000
         93.03847700
         41.75079400
         18.97761200
          8.55589400
          3.90035430
          1.81078370
          0.78287166
          0.34569167
          0.14787121
         25.18405700
        335.17599e-4
        150.82911e-4
  0.000008311993 -0.000002620864  0.000001061915 -0.000000358646
  0.000057227440 -0.000018072453  0.000007312039 -0.000002470963
  0.000293759660 -0.000092610522  0.000037548012 -0.000012678389
  0.001361712700 -0.000430827470  0.000174291060 -0.000058907570
  0.005740266300 -0.001818446000  0.000737883050 -0.000249160180
  0.021914991000 -0.007043067800  0.002854398300 -0.000965128580
  0.069818185000 -0.023086181000  0.009425157200 -0.003184870900
  0.179801720000 -0.064506189000  0.026494354000 -0.008982144700
  0.340617400000 -0.144642740000  0.061199976000 -0.020778643000
  0.372776360000 -0.226553170000  0.099746888000 -0.034293902000
  0.150383270000 -0.092404515000  0.047536068000 -0.016199936000
  0.000169455300  0.418991210000 -0.271246670000  0.095618773000
 -0.008498122500  0.552768390000 -0.565409610000  0.205091250000
  0.001397503400  0.147661440000  0.060967105000 -0.019196349000
 -0.000651164110 -0.004782391100  0.817157020000 -0.487995230000
  0.000305660200  0.005132819200  0.368285210000 -0.416450960000
 -0.000151066360 -0.002377422300  0.011492548000  0.464025690000
  0.000076473742  0.001092724100  0.003391395400  0.737413770000
 -0.000027179151 -0.000412101210 -0.000667127150  0.155001000000
  0.013274129000  0.067091237000 -0.010499394000  0.016024017000
  0.000008204003  0.000123043510  0.000242861210 -0.002348339400
 -0.000003693013 -0.000055263477 -0.000113510080  0.001460301100
   14    2
  1.3581190000e2 18.974795000000
       9094.21270000
       3164.14900000
       1201.90090000
        489.76240000
        210.50229000
         93.03847700
         41.75079400
         18.97761200
          8.55589400
          3.90035430
          1.81078370
          0.78287166
          0.34569167
          0.14787121
  0.000391914710 -0.000162123130
  0.001706944800 -0.000701390330
  0.008634404500 -0.003605233500
  0.033590934000 -0.014123681000
  0.109794500000 -0.048017831000
  0.271742950000 -0.124315990000
  0.423936730000 -0.210048920000
  0.285655080000 -0.074704014000
  0.048037994000  0.366048560000
  0.002739073300  0.546072100000
 -0.000379707750  0.215995980000
  0.000392700160  0.014560568000
 -0.000204903760  0.000566580580
  0.000061660853 -0.000064755618
    9    1
  9.464022700000
        489.76240000
        210.50229000
         93.03847700
         41.75079400
         18.97761200
          8.55589400
          3.90035430
          1.81078370
          0.78287166
  0.001047786400
  0.004264839100
  0.021894271000
  0.077153586000
  0.210645210000
  0.361881520000
  0.365446790000
  0.196579750000
  0.041089989000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Cs.NR-AIMP.Huzinaga.13s11p8d.1s2p1d.ECP.7el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
CAESIUM (13s,11p,8d) -> [1s,2p,1d]
********************************************************************************
* L.S. and Z.B., unpublished.
*core[Cd] val[5p,6s]  (11,1,1/911*/8o)=3s3p1d recomm.
*
* - (8o) d orthogonality function is the 4d core orbital
*
*CS-PS(A3/A01/8)               (A21/911/8)
********************************************************************************
     7.0   2
* s-type functions
   13    1
      18247.18990000
       2715.54600000
        607.11506700
         77.63931450
         51.90406130
         10.96039880
          7.63093877
          3.50839864
          1.58491808
       4363.17999e-4
       1666.15451e-4
       2568.72364e-5
       1180.39643e-5
 -0.000278875481
 -0.002005271780
 -0.006686169730
  0.010712785100
  0.029105351100
 -0.070196686700
 -0.058765086200
  0.061153034600
  0.219675287000
 -0.210787337000
 -0.399840852000
  0.791154452000
  0.371657577000
* p-type functions
   11    2
       1581.57394000
        372.35651900
        117.32324800
         17.48693350
          6.84905604
          4.12435300
          1.67502833
       8165.93775e-4
       3185.43266e-4
       1248.55474e-4
          0.02600000
 -0.002793717910  0.000000000000
 -0.018662767100  0.000000000000
 -0.049346633000  0.000000000000
  0.163156893000  0.000000000000
  0.134458714000  0.000000000000
 -0.302929117000  0.000000000000
 -0.388331119000  0.000000000000
  0.239114021000  0.000000000000
  0.686765850000  0.000000000000
  0.312684720000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    8    1
        295.07100000
         91.71190000
         35.95070000
         15.47320000
          6.94878000
          3.14598000
          1.40090000
          0.57149000
  0.012776464000
  0.070921517000
  0.172825750000
  0.176003850000
 -0.152488230000
 -0.516053600000
 -0.410344020000
 -0.090445954000
********************************************************************************
* Core AIMP: CS-4D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.1234700000e5  6.5357900000e4  1.5767620000e4  4.5753900000e3  1.4909130000e3  4.7687100000e2  1.8591440000e2 62.215000000000 27.357050000000  5.256090000000  3.065010000000
  1.102969000000  0.469060000000
  0.066442394286  0.079280785714  0.143672700000  0.239564371429  0.319712514286  0.485330842857  0.821438814286  0.575718400000  1.692870571429  1.055656971429  0.997898414286
  0.279244328571  0.100311777143
M2
  0
COREREP
 1.0
PROJOP
    2
   15    5
  2.5455376000e3  3.9628755000e2 85.386052000000 17.390968000000  2.463205300000
      71400.00000000
      13000.00000000
       3601.00000000
       1223.00000000
        472.20000000
        197.60000000
         83.48000000
         38.47000000
         14.39000000
          7.46800000
          2.92300000
          1.45800000
          0.25090000
          0.48120000
          0.11680000
  0.008846084200  0.002944251900  0.001285013500  0.000608127870  0.000228031300
  0.048338572000  0.015939328000  0.007354918000  0.003322521300  0.001226436600
  0.166871710000  0.060617935000  0.027010843000  0.012729248000  0.004764965900
  0.370230160000  0.156457440000  0.074786618000  0.034120895000  0.012624731000
  0.410922450000  0.263625550000  0.126939710000  0.061415435000  0.023135840000
  0.138646530000  0.053153609000  0.038373209000  0.015346306000  0.005354146800
  0.002484541700 -0.560746220000 -0.458078470000 -0.231330300000 -0.087320822000
  0.001383734700 -0.540786300000 -0.564432750000 -0.338352820000 -0.133740560000
 -0.000904664470 -0.076256460000  0.606078800000  0.542631900000  0.234561770000
  0.000585134830  0.017837838000  0.699476790000  0.834032830000  0.377450000000
 -0.000307140770 -0.006596962500  0.080853820000 -0.698089340000 -0.426900090000
  0.000184412920  0.003689483800 -0.012064552000 -0.757502080000 -0.723262600000
  0.000062991026  0.001162551100 -0.002972798100  0.013388214000  0.738334830000
 -0.000094582630 -0.001773263700  0.004657301200 -0.055824313000  0.442072750000
 -0.000016644472 -0.000305558050  0.000725344460 -0.002852105300  0.178026980000
   12    3
  3.7263233000e2 75.191854000000 13.537054000000
       2932.00000000
        764.60000000
        273.80000000
        114.37000000
         52.18000000
         23.87800000
         11.77200000
          5.83200000
          2.95200000
          1.47740000
          0.67900000
          0.09420000
  0.013653427000  0.006432687800  0.002884790900
  0.081203417000  0.039949121000  0.018135217000
  0.256204010000  0.132764480000  0.060774689000
  0.431510570000  0.246668640000  0.115832350000
  0.323251770000  0.123795840000  0.049382014000
  0.073103046000 -0.364120660000 -0.240216410000
 -0.001456015700 -0.571544010000 -0.428044280000
  0.001945663400 -0.199269640000  0.067638584000
 -0.001113850100 -0.011766669000  0.622392990000
  0.000389911680 -0.002067575800  0.431514740000
 -0.000108893570  0.000294410720  0.060345976000
  0.000009255439 -0.000017129430  0.000321282600
    8    2
 56.452427000000  6.759068800000
        295.07100000
         91.71190000
         35.95070000
         15.47320000
          6.94878000
          3.14598000
          1.40090000
          0.57149000
  0.029351188000  0.012776464000
  0.157462880000  0.070921517000
  0.385316040000  0.172825750000
  0.450336140000  0.176003850000
  0.187237470000 -0.152488230000
  0.015699272000 -0.516053600000
  0.000883940690 -0.410344020000
 -0.000268137670 -0.090445954000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         C.2.1.2. Alkaline Earth Elements
********************************************************************************

/Be.NR-AIMP.Huzinaga.5s1p.1s1p.ECP.2el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
BERYLLIUM (5s,1p) -> [1s,1p]
********************************************************************************
*core[He] val[2s]     (41/1*)=2s1p recommended
*BE-S(5/1)                     (41/1)
********************************************************************************
     2.0   1
* s-type functions
    5    1
         65.23184480
          9.74507696
          2.00464288
          0.15084819
       5132.90743e-5
 -0.013123519300
 -0.078926576900
 -0.209520426000
  0.623612626000
  0.462626019000
* p-type functions
    1    1
          0.16400000
  1.000000000000
********************************************************************************
* Core AIMP: BE-1S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  8
  2.2002068000e5  2.0793906000e4  3.3179723000e3  6.6520534000e2  1.5680300000e2 40.276502000000 11.365749000000  3.651855200000
  0.008196736500  0.014339920500  0.030891991500  0.062359775000  0.124491390000  0.257297895000  0.364005525000  0.138416765000
M2
  0
COREREP
 1.0
PROJOP
    0
   14    1
  9.465320800000
      39869.44400000
       5843.78490000
       1353.87480000
        390.76208000
        128.91355000
         46.83576500
         18.23844500
          7.46530070
          3.18850720
          1.42421680
          0.65378289
          0.23546536
        960.77389e-4
        399.79165e-4
  0.000026638308
  0.000208945210
  0.001057815900
  0.004352750100
  0.015368737000
  0.047076888000
  0.122472060000
  0.252443180000
  0.365696450000
  0.281142610000
  0.067230540000
  0.000982971940
 -0.000055594615
  0.000008445224
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Mg.NR-AIMP.Seijo.7s6p1d.1s2p1d.ECP.8el.
L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 94 (1991) 3762-3773. doi:10.1063/1.459748
MAGNESIUM (7s,6p,1d) -> [1s,2p,1d]
********************************************************************************
*core[Be] val[2p,3s]     (61/411*/1*)=2s3p1d recommended
*
* - d polarization function for Mg(++) included
*
*MG-PS(7/51/1)                 (61/411/1)
********************************************************************************
     8.0   2
* s-type functions
    7    1
        741.31172700
        111.98810200
         24.88971880
          2.20601623
       7878.24901e-4
       1081.50406e-4
       3931.85756e-5
  0.002809920040
  0.018549038100
  0.053244713200
 -0.156727027000
 -0.232454586000
  0.616247232000
  0.506402417000
* p-type functions
    6    2
         97.28158910
         22.42789270
          6.79554741
          2.22033243
       7131.26083e-4
          0.10100000
  0.014661720300  0.000000000000
  0.096358878000  0.000000000000
  0.309392193000  0.000000000000
  0.499458373000  0.000000000000
  0.312380449000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    1    1
          3.44400000
  1.000000000000
********************************************************************************
* Core AIMP: MG-2S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  8
  1.7852498000e5  1.4932791000e4  2.2824226000e3  4.9180959000e2  1.3253378000e2 37.579497000000  6.808404600000  2.428000000000
  0.008741599000  0.016556165000  0.035920283750  0.070999386250  0.110491642500  0.065799897500  0.122456451250  0.069034573750
M2
  0
COREREP
 1.0
PROJOP
    0
   16    2
 98.063394000000  7.535376000000
     392037.18000000
      61881.24700000
      14148.41100000
       3962.54640000
       1265.04260000
        433.23167000
        155.66852000
         58.88964000
         23.38982500
          9.53346950
          3.92481280
          1.63576990
          0.69392902
          0.27201244
        993.08348e-4
        373.02644e-4
  0.000024084660 -0.000006090507
  0.000177429970 -0.000044785728
  0.000945630100 -0.000239557970
  0.004054039800 -0.001025926000
  0.015196278000 -0.003891689100
  0.052191888000 -0.013585306000
  0.152176340000 -0.042087001000
  0.330257430000 -0.103925750000
  0.412878540000 -0.182155620000
  0.176380330000 -0.109503270000
  0.005978373100  0.267592230000
  0.004389195000  0.576443880000
 -0.001706902300  0.309804430000
  0.000915748190  0.013097782000
 -0.000385585650  0.001191217000
  0.000114078590 -0.000465438840
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ca.NR-AIMP.Seijo.9s7p5d.1s2p3d.ECP.8el.
L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 94 (1991) 3762-3773. doi:10.1063/1.459748
CALCIUM (9s,7p,5d) -> [1s,2p,3d]
********************************************************************************
*core[Mg] val[3p,4s] (81/511*/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
*
*CA-PS(9/61/311)               (81/511/311)
********************************************************************************
     8.0   2
* s-type functions
    9    1
       2143.02140000
        324.20298700
         73.07714470
          7.09208247
          3.30824653
       9683.38721e-4
       3992.29618e-4
       6242.60255e-5
       2506.16211e-5
 -0.001336828200
 -0.009033866620
 -0.027054028100
  0.101840640000
  0.079609387700
 -0.202609473000
 -0.356057799000
  0.701817157000
  0.455814734000
* p-type functions
    7    2
        142.61787300
         32.79998340
          9.59581583
          1.21591792
       4877.97825e-4
       1930.83098e-4
          0.05900000
 -0.017864090800  0.000000000000
 -0.101927294000  0.000000000000
 -0.223296538000  0.000000000000
  0.496308735000  0.000000000000
  0.494201258000  0.000000000000
  0.115336531000  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: CA-3S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.9363705000e5  3.7148554000e4  7.6052202000e3  1.9584898000e3  5.9466492000e2  2.0033982000e2 62.162330000000 22.896549000000 10.079705000000  2.164655100000  0.977700000000
  0.016530513750  0.023295347500  0.044341583750  0.080087902500  0.132488425000  0.159871000000  0.195270725000  0.402383087500  0.239699862500  0.144544362500  0.061487182500
M2
  0
COREREP
 1.0
PROJOP
    1
   19    3
  2.9872740000e2 33.645450000000  4.490636600000
    1253429.20000000
     220930.37000000
      50650.30200000
      15029.95800000
       4798.04170000
       1656.55180000
        608.38558000
        233.89711000
         94.30561500
         39.25740300
         16.29578700
          6.93682840
          3.04624320
          1.28880560
          0.54279396
          0.21781284
        984.06371e-4
          0.04124021
          0.01870773
  0.000018922595 -0.000005490902  0.000001894777
  0.000131051810 -0.000038067541  0.000013115377
  0.000670802490 -0.000194741670  0.000067248889
  0.002719006900 -0.000792174810  0.000272829910
  0.010575733000 -0.003094323900  0.001069896200
  0.035575420000 -0.010605420000  0.003659923800
  0.106492540000 -0.033070146000  0.011512247000
  0.254623240000 -0.088054740000  0.030844307000
  0.405524970000 -0.178410480000  0.064686309000
  0.290613580000 -0.198358340000  0.074854310000
  0.042835889000  0.136667460000 -0.055205654000
  0.001842971600  0.640894730000 -0.375085570000
 -0.000829760740  0.369012600000 -0.371271110000
  0.000646951880  0.017686156000  0.432500680000
 -0.000490734380  0.005945382000  0.745975790000
  0.000305425390 -0.002862920700  0.137691780000
 -0.000193261050  0.001914554300 -0.008642811400
  0.000090020294 -0.000900327930  0.002135095700
 -0.000027222704  0.000273615890 -0.000443134690
   11    1
 27.258382000000
       1656.55180000
        608.38558000
        233.89711000
         94.30561500
         39.25740300
         16.29578700
          6.93682840
          3.04624320
          1.28880560
          0.54279396
          0.21781284
  0.000734614810
  0.002756655700
  0.014042226000
  0.051852622000
  0.164280920000
  0.356624000000
  0.418242790000
  0.177621190000
  0.013199547000
  0.000696702660
 -0.000177149340
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Sr.NR-AIMP.Seijo.11s9p7d.1s2p1d.ECP.8el.
L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 94 (1991) 3762-3773. doi:10.1063/1.459748
STRONTIUM (11s,9p,7d) -> [1s,2p,1d]
********************************************************************************
*core[Zn] val[4p,5s]     (9,1,1/711*/411)=3s3p3d recommended
*
* - d function optimized in  Sr(+) (4d1-2D)
*
*SR-PSD(A1/81/7)               (A01/711/421)
********************************************************************************
     8.0   2
* s-type functions
   11    1
       7955.45113000
       1209.99538000
        276.68667600
         30.45062670
         15.11130900
          5.82396748
          2.86676445
       6469.71931e-4
       3014.32686e-4
       5188.38795e-5
       2145.64179e-5
  0.000645538248
  0.004420243500
  0.013725933300
 -0.052931313000
 -0.035830851100
  0.067306778000
  0.181788969000
 -0.249804523000
 -0.377701896000
  0.735841829000
  0.442328465000
* p-type functions
    9    2
        675.73539200
        158.52521700
         49.22504170
          7.33845663
          3.48282963
       8718.10251e-4
       3865.05939e-4
       1583.83903e-4
          0.04800000
  0.005900167910  0.000000000000
  0.037514416400  0.000000000000
  0.092294226100  0.000000000000
 -0.211908806000  0.000000000000
 -0.216496885000  0.000000000000
  0.445125293000  0.000000000000
  0.547438705000  0.000000000000
  0.149737445000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    1
         81.91937370
         23.07403470
          7.64995799
          2.49433629
          1.16768631
       3573.03277e-4
          0.10133097
 -0.009074461000
 -0.045180040000
 -0.089893360000
 -0.064644420000
  0.182027700000
  0.465535380000
  0.600373840000
********************************************************************************
* Core AIMP: SR-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.2519928000e5  4.4991532000e4  9.8379817000e3  2.6403724000e3  8.1449724000e2  2.4552921000e2 89.214409000000 31.954652000000 11.023408000000  4.976020600000  1.394026500000
  0.662760000000
  0.040209438750  0.053051818750  0.100448078750  0.176081250000  0.241889500000  0.336567512500  0.636588625000  0.361929850000  1.064520162500  0.517036150000  0.179075925000
  0.042601673750
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  1.1673764000e3  1.6078234000e2 26.949998000000  3.793256900000
      16198.26500000
       3000.98840000
        851.63673000
        300.05355000
        120.86780000
         41.39026300
         18.09334100
          5.63346250
          2.71661690
          1.03242210
          0.50800035
          0.22500000
  0.021985036000 -0.006855398400  0.002892526400 -0.001044086100
  0.110091220000 -0.037559807000  0.015048243000 -0.005286963000
  0.314092820000 -0.116760520000  0.050286832000 -0.018192392000
  0.451583060000 -0.245261670000  0.103638950000 -0.036662041000
  0.233756980000 -0.147319790000  0.078077396000 -0.029700605000
  0.018402742000  0.501377870000 -0.345066190000  0.135223480000
 -0.002844538700  0.610210760000 -0.545670880000  0.221794010000
  0.001103822100  0.085608360000  0.546819200000 -0.285647220000
 -0.000816624810 -0.026703324000  0.683030200000 -0.628240830000
  0.000437111380  0.012358890000  0.076305446000  0.161763490000
 -0.000239561890 -0.006759177800 -0.008622462600  0.843877290000
  0.000059683133  0.001658770600  0.002041102400  0.286651410000
   10    2
  1.4599280000e2 21.399888000000
        814.05687000
        209.70191000
         72.70780000
         28.94139200
         11.74831900
          5.17741570
          2.34778850
          0.95183374
          0.42760001
          0.18300000
  0.031219786000 -0.013262935000
  0.167610890000 -0.073889245000
  0.419538520000 -0.201684790000
  0.441235780000 -0.204589850000
  0.124150520000  0.226794170000
 -0.002168924300  0.585397180000
  0.003900106400  0.314570380000
 -0.001669798000  0.029243055000
  0.000825653860 -0.001347253000
 -0.000241344490  0.000322430460
    6    1
 11.388770000000
        167.14322000
         51.05797300
         19.35444300
          7.86906040
          3.22700000
          1.24790000
  0.014236818000
  0.085452347000
  0.260597960000
  0.432761570000
  0.372524750000
  0.107018290000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ba.NR-AIMP.Seijo.13s11p8d.1s2p1d.ECP.8el.
L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 94 (1991) 3762-3773. doi:10.1063/1.459748
BARIUM (13s,11p,8d) -> [1s,2p,1d]
********************************************************************************
*core[Cd] val[5p,6s]     (A111/911*/611)=3s3p3d recommended
*
* - d function optimized in  Ba(+) (5d1-2D)
*
*BA-PSD(A3/A01/8)              (A111/911/611)
********************************************************************************
     8.0   2
* s-type functions
   13    1
      17626.90010000
       2684.44472000
        615.69717000
         78.44596350
         52.33208180
         15.86735060
          9.58130793
          3.48695236
          1.65714053
       6229.02319e-4
          0.25056281
       3805.85581e-5
       1630.91087e-5
 -0.000389738933
 -0.002691551660
 -0.008609323060
  0.017477136200
  0.034766993300
 -0.015060801500
 -0.147474890000
  0.080519729600
  0.300802030000
 -0.180123475000
 -0.560637929000
  0.825018805000
  0.363208809000
* p-type functions
   11    2
       1628.64054000
        384.71794100
        121.70140500
         18.57209220
          8.88909128
          3.93087330
          1.92983094
       6106.57731e-4
       2940.63359e-4
       1245.08644e-4
          0.03700000
 -0.003076076190  0.000000000000
 -0.020413085500  0.000000000000
 -0.053651970100  0.000000000000
  0.169201451000  0.000000000000
  0.091533150200  0.000000000000
 -0.278466445000  0.000000000000
 -0.338819142000  0.000000000000
  0.400920831000  0.000000000000
  0.605336451000  0.000000000000
  0.175830113000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    8    1
        242.11443500
         70.74839360
         25.27568310
          4.62796532
          2.28200773
       4385.05018e-4
       1617.95396e-4
       5903.55543e-5
  0.004592554130
  0.025801059400
  0.052226658300
 -0.099268247200
 -0.121876242000
  0.315319120000
  0.525354768000
  0.351280478000
********************************************************************************
* Core AIMP: BA-4D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  4.1770000000e5  6.6950000000e4  1.5970000000e4  4.4330000000e3  1.3650000000e3  4.1590000000e2  1.6384000000e2 47.467000000000 26.189000000000  4.742800000000  1.971400000000
  0.650680000000
  0.058866837500  0.069911237500  0.130582425000  0.227062587500  0.301400750000  0.507831987500  0.697817850000  0.734911712500  1.174472112500  1.485609750000  0.455594537500
  0.155938162500
M2
  0
COREREP
 1.0
PROJOP
    2
   15    5
  2.6441810000e3  4.1430818000e2 90.561342000000 19.112436000000  3.025154000000
      49809.29400000
       9725.33860000
       2561.98610000
        848.55088000
        328.60031000
        139.94988000
         62.78087300
         28.89307200
         13.44938100
          6.28889880
          2.94529130
          1.38000400
          0.64666282
          0.30302801
          0.14200000
  0.013366288000 -0.004404810900  0.001979259500 -0.000939374170  0.000366903200
  0.072282072000 -0.024394832000  0.011080178000 -0.005096172400  0.001988486600
  0.252216370000 -0.094755850000  0.043460853000 -0.020578639000  0.008043044400
  0.453647620000 -0.220653670000  0.105934230000 -0.049282937000  0.019278667000
  0.313744920000 -0.242419330000  0.125728110000 -0.062460836000  0.024586297000
  0.039638384000  0.198914430000 -0.125995870000  0.068050596000 -0.027104798000
  0.003467794000  0.682830360000 -0.638953690000  0.338972990000 -0.136690930000
 -0.002568411400  0.304798070000 -0.306894070000  0.215542330000 -0.091217417000
  0.001823617900  0.008028793600  0.888169170000 -0.857107980000  0.391823270000
 -0.001297133500  0.004623513300  0.512191210000 -0.662750590000  0.327851890000
  0.000865062630 -0.002989425200  0.001822802600  0.963719350000 -0.633329820000
 -0.000537896990  0.001595616200  0.015712426000  0.611495630000 -0.745442380000
  0.000303781190 -0.000885272320 -0.007865530600  0.015624351000  0.462673830000
 -0.000137528360  0.000403619870  0.003315596100  0.008641392500  0.854548950000
  0.000036120669 -0.000104019840 -0.000889824020 -0.001536015500  0.171097690000
   12    3
  3.9011176000e2 80.079338000000 15.098332000000
       1942.17310000
        502.24610000
        175.50127000
         71.79634900
         31.41293100
         14.07917100
          6.35677620
          2.87548120
          1.30121740
          0.58886271
          0.26648982
          0.12060000
  0.028571772000 -0.013607605000  0.006308078300
  0.158777370000 -0.080244394000  0.036564469000
  0.409162570000 -0.223158280000  0.106173860000
  0.437475450000 -0.242087320000  0.110019210000
  0.139166220000  0.227533810000 -0.149379590000
  0.003818596400  0.664357510000 -0.506224170000
  0.001406799800  0.256553830000  0.047036781000
 -0.000955674260  0.004118013900  0.752069420000
  0.000474595120  0.005043365200  0.337977310000
 -0.000273679130 -0.002534443300  0.012534979000
  0.000129997690  0.001179158600  0.004391880800
 -0.000038860264 -0.000354469510 -0.001233619200
    8    2
 60.804446000000  8.002728000000
        291.92248000
         90.42461300
         35.43989500
         15.35965600
          6.87923120
          3.10622600
          1.40456170
          0.63520000
  0.032601652000 -0.014592158000
  0.172251840000 -0.079264602000
  0.401657810000 -0.184809530000
  0.440074830000 -0.166843730000
  0.166919850000  0.196873010000
  0.010140035000  0.542291350000
  0.001304346100  0.354675610000
 -0.000460582540  0.074481737000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         C.2.1.3. Group IIIA Elements
********************************************************************************

/B.NR-AIMP.Huzinaga.5s5p1d.1s1p1d.ECP.3el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
BORON (5s,5p,1d) -> [1s,1p,1d]
********************************************************************************
*core[He] val[2s,2p]     (41/311/1*)=2s3p1d recommended
*B-SP(5/5/1)                   (41/41/1)
********************************************************************************
     3.0   2
* s-type functions
    5    1
        111.57099800
         16.70882770
          3.52251744
          0.27434282
       9031.82185e-5
 -0.013349831200
 -0.083049251500
 -0.225942929000
  0.627975668000
  0.462945691000
* p-type functions
    5    1
         12.66875560
          2.75260256
          0.78237754
       2478.00856e-4
       7910.66519e-5
  0.012212356900
  0.075256697700
  0.268305708000
  0.504885495000
  0.366736008000
* d-type functions
    1    1
          0.38800000
  1.000000000000
********************************************************************************
* Core AIMP: B-1S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  7
  2.1513923000e5  1.9835800000e4  3.0548389000e3  5.7505226000e2  1.2079038000e2 27.817362000000  7.428552400000
  0.007050323000  0.012605634667  0.028059625333  0.061026773333  0.138448956667  0.266952373333  0.152522983333
M2
  0
COREREP
 1.0
PROJOP
    0
   14    1
 15.390613000000
      52671.04700000
       7957.45200000
       1821.48580000
        525.02748000
        174.90474000
         63.72072500
         24.67219700
         10.01800800
          4.23434400
          1.84420680
          0.76474042
          0.31422572
          0.12844228
        525.61458e-4
  0.000032735824
  0.000252282610
  0.001306466800
  0.005299620300
  0.018404924000
  0.056343646000
  0.145627140000
  0.291305760000
  0.384660940000
  0.227251140000
  0.025938077000
 -0.000343089320
  0.000305633560
 -0.000003583605
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Al.NR-AIMP.Huzinaga.7s6p1d.1s1p1d.ECP.3el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
ALUMINIUM (7s,6p,1d) -> [1s,1p,1d]
********************************************************************************
*core[Ne] val[3s,3p]     (61/411/1*)=2s3p1d recommended
*AL-SP(7/6/1)                  (61/51/1)
********************************************************************************
     3.0   2
* s-type functions
    7    1
        869.14539100
        131.41377100
         29.33143810
          2.73489161
          1.08903294
       1680.62507e-4
       6112.67922e-5
  0.003489715780
  0.023077513600
  0.066236014700
 -0.186881396000
 -0.270690882000
  0.666608379000
  0.475934213000
* p-type functions
    6    1
         41.12780350
          9.12258748
          2.40172268
       2221.56889e-4
       8312.32666e-5
       3278.31898e-5
 -0.013367451500
 -0.066023225600
 -0.122471280000
  0.360851755000
  0.532001726000
  0.231727331000
* d-type functions
    1    1
          0.19800000
  1.000000000000
********************************************************************************
* Core AIMP: AL-2P
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  3.2231636000e5  4.2989923000e4  8.3846495000e3  1.7585767000e3  3.9123867000e2 94.113283000000 19.503874000000  5.877198600000  2.175734800000
  0.024410849667  0.033404996667  0.071168633333  0.155752190000  0.338457166667  0.508127600000  0.673019933333  1.159772900000  0.369219033333
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.1700209000e2  9.821294400000
     440776.56000000
      65831.35300000
      14631.36100000
       3973.70020000
       1265.91480000
        433.24269000
        155.60934000
         59.12170700
         23.58578700
          9.52684590
          3.89816020
          1.63754440
          0.70342483
          0.24683657
          0.09707972
        376.87043e-4
  0.000026216901 -0.000006820134
  0.000204470410 -0.000053092904
  0.001140542100 -0.000297278350
  0.004995317900 -0.001301204200
  0.018454917000 -0.004872933700
  0.063066758000 -0.016987282000
  0.178373660000 -0.051596905000
  0.362068870000 -0.122124100000
  0.393970860000 -0.195313920000
  0.127883570000 -0.060826660000
  0.000265296790  0.381938510000
  0.003720783000  0.580660250000
 -0.001399726500  0.189089950000
  0.000665917870 -0.000347081510
 -0.000332513330  0.001719612800
  0.000096711832 -0.000460534280
   11    1
  6.436428400000
        433.24269000
        155.60934000
         59.12170700
         23.58578700
          9.52684590
          3.89816020
          1.63754440
          0.70342483
          0.24683657
          0.09707972
        376.87043e-4
  0.001325169600
  0.005238395600
  0.024048459000
  0.084186850000
  0.226920910000
  0.379865910000
  0.361002700000
  0.138353950000
  0.009222911400
 -0.000293271950
  0.000257528840
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ga.NR-AIMP.Huzinaga.9s8p4d.1s1p2d.ECP.3el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
GALLIUM (9s,8p,4d) -> [1s,1p,2d]
********************************************************************************
*core[Ar,3d] val[4s,4p]     (711/611/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*GA-SP(9/8/31)                 (81/71/31)
********************************************************************************
     3.0   2
* s-type functions
    9    1
       5367.43057000
        811.36776700
        183.72307700
         18.64271540
          6.85234940
          3.79214027
          1.36842283
       1829.04361e-4
       6613.90405e-5
 -0.001476555960
 -0.010164972100
 -0.031635832000
  0.135953639000
  0.110786423000
 -0.214869401000
 -0.369813540000
  0.682578132000
  0.463086803000
* p-type functions
    8    1
        427.90530800
         99.75182520
         30.46240750
          4.17049455
          1.66752478
          0.27998301
       1060.68775e-4
       3900.14411e-5
  0.002821570520
  0.017621517200
  0.042636920600
 -0.101177621000
 -0.107937245000
  0.262815822000
  0.541523661000
  0.337412017000
* d-type functions
    4    2
         12.59740000
          3.02431000
          0.74767300
          0.20700000
  0.328088629000  0.000000000000
  0.598759454000  0.000000000000
  0.376038087000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: GA-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  6.0437301000e5  1.1690266000e5  2.8184217000e4  6.9584486000e3  1.7533081000e3  4.9201373000e2  1.3821712000e2 47.039636000000 10.176595000000  3.646514800000  1.134959100000
  0.054843553333  0.058395746667  0.117982286667  0.242728676667  0.486604933333  0.646611100000  0.994440966667  1.772790433333  1.794613866667  2.654289233333  0.510032533333
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  7.5763512000e2 96.335172000000 12.787244000000
   13093818.00000000
    2275108.30000000
     559049.20000000
     158325.93000000
      45395.30000000
      13992.68900000
       4603.20050000
       1628.98630000
        625.09360000
        253.12274000
        106.70605000
         45.64096900
         19.94858500
          8.69939030
          3.80888050
          1.65148450
          0.71734771
          0.29177618
          0.12270162
        483.17547e-4
  0.000003134286 -0.000000971767  0.000000370191
  0.000020530829 -0.000006359209  0.000002429832
  0.000098796091 -0.000030649030  0.000011662164
  0.000470375730 -0.000145763340  0.000055725934
  0.002146593200 -0.000667359730  0.000254028910
  0.008666536900 -0.002704516100  0.001034900700
  0.031735877000 -0.010076474000  0.003844214600
  0.097089978000 -0.032083366000  0.012373952000
  0.234789250000 -0.086026446000  0.033359973000
  0.394800260000 -0.181438720000  0.073260474000
  0.316611330000 -0.222054500000  0.093552757000
  0.062237467000  0.090542578000 -0.040503809000
  0.000487678700  0.656322400000 -0.449522540000
  0.000122830870  0.400278760000 -0.389864970000
  0.000058202955  0.011418709000  0.510009370000
 -0.000128632470  0.012271729000  0.691023350000
  0.000072329984 -0.005930204500  0.144509460000
 -0.000040126920  0.003214290500 -0.002100347600
  0.000018712989 -0.001477701300  0.001351169800
 -0.000004971547  0.000392419260 -0.000258453200
   14    2
 84.986200000000  8.962682600000
       4603.20050000
       1628.98630000
        625.09360000
        253.12274000
        106.70605000
         45.64096900
         19.94858500
          8.69939030
          3.80888050
          1.65148450
          0.71734771
          0.29177618
          0.12270162
        483.17547e-4
  0.000665077850 -0.000252874560
  0.002719771400 -0.001031206400
  0.013605321000 -0.005231435100
  0.051726253000 -0.020165625000
  0.163641090000 -0.066542761000
  0.358999330000 -0.154209010000
  0.421803150000 -0.188714830000
  0.166257870000  0.092404350000
  0.007180444900  0.492916590000
  0.003858383100  0.444388510000
 -0.001483550200  0.117031750000
  0.000871926460  0.003973145500
 -0.000411898330  0.001018487800
  0.000120672290 -0.000108456210
    9    1
  2.384737400000
        253.12274000
        106.70605000
         45.64096900
         19.94858500
          8.69939030
          3.80888050
          1.65148450
          0.71734771
          0.29177618
  0.001413954200
  0.006391079500
  0.029553132000
  0.100496660000
  0.240795120000
  0.352046630000
  0.338178320000
  0.208700010000
  0.066498783000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/In.NR-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]
********************************************************************************
*core[Kr] val[4d,5s,5p]     (911/811/511*)=3s3p3d recommended
*IN-DSP(A1/A0/61)              (911/811/511)
********************************************************************************
    13.0   2
* s-type functions
   11    1
      13660.58510000
       2069.79186000
        471.68773900
         51.98476550
         26.87048570
         10.93846840
          6.56690584
          1.65557087
       8277.88242e-4
       1467.54273e-4
       5516.01978e-5
  0.000859880232
  0.005974516250
  0.019137329900
 -0.079568097900
 -0.045704187000
  0.078349924900
  0.255938557000
 -0.316748873000
 -0.364069650000
  0.702222041000
  0.483310418000
* p-type functions
   10    1
       1186.56570000
        280.10328100
         88.52004640
         14.25809970
          8.03372804
          2.23814993
          1.00792683
       2059.00498e-4
       8439.09913e-5
       3306.15498e-5
 -0.001576728160
 -0.010226763000
 -0.025788397500
  0.060297293800
  0.053735493500
 -0.144410156000
 -0.148109364000
  0.283659211000
  0.548460790000
  0.306269809000
* d-type functions
    7    2
        164.30935800
         47.34794720
         16.41551780
          2.50525643
       9795.34931e-4
       3501.99546e-4
          0.16000000
 -0.018853594400  0.000000000000
 -0.101243150000  0.000000000000
 -0.195757711000  0.000000000000
  0.428293731000  0.000000000000
  0.509756819000  0.000000000000
  0.225607862000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: IN-4P
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  4.2450100000e5  7.1900800000e4  1.8235300000e4  5.4224000000e3  1.8126800000e3  6.1862000000e2  2.2337800000e2 99.834400000000 28.923600000000 15.613730000000  3.309710000000
  1.567830000000
  0.028740099231  0.032181193846  0.057315771538  0.097550623077  0.140952984615  0.172049907692  0.332146530769  0.303641153846  0.517615215385  0.550427561538  0.403719415385
  0.132890315385
M2
  0
COREREP
 1.0
PROJOP
    2
   21    4
  1.9955981000e3  2.9878947000e2 59.247924000000  9.951976500000
   12952494.00000000
    2047619.70000000
     516732.89000000
     145875.37000000
      45088.18200000
      14384.72500000
       4961.25450000
       1851.57780000
        747.05874000
        322.07342000
        143.26168000
         65.47808700
         30.35690200
         14.15783600
          6.73937020
          3.09856980
          1.42244490
          0.64257575
          0.26445769
          0.12879178
        542.81246e-4
  0.000010839754 -0.000003499837  0.000001532450 -0.000000656702
  0.000071971018 -0.000023250904  0.000010179860 -0.000004358045
  0.000353907820 -0.000114302090  0.000050054520 -0.000021459629
  0.001554768200 -0.000503234640  0.000220378450 -0.000094326272
  0.006498509500 -0.002110620500  0.000925007650 -0.000396675010
  0.024994240000 -0.008232438800  0.003613930300 -0.001547493800
  0.080732303000 -0.027547428000  0.012157297000 -0.005221926300
  0.207789760000 -0.077735780000  0.034741028000 -0.014921844000
  0.368255490000 -0.168713440000  0.077749970000 -0.033727225000
  0.348401690000 -0.234209680000  0.114760280000 -0.050062443000
  0.107155790000 -0.023874313000  0.012756073000 -0.006461109500
  0.000911641330  0.548072900000 -0.408291350000  0.197005150000
  0.001955122600  0.531142530000 -0.598360880000  0.309384120000
 -0.001234325900  0.073698995000  0.332883310000 -0.202385220000
  0.000704242550  0.007435861700  0.878638930000 -0.931989100000
 -0.000429445890 -0.004262420400  0.171438690000  0.043257116000
  0.000260042700  0.002594703200  0.003689778100  0.951101980000
 -0.000141346170 -0.001578838300  0.000058673320  0.332109760000
  0.000078809176  0.000890907630  0.000809065860  0.008074183400
 -0.000040106827 -0.000457699860 -0.000481522830  0.000184547440
  0.000009460674  0.000108786050  0.000120627790  0.000091185617
   17    3
  2.7834211000e2 50.747114000000  7.013061100000
      14384.72500000
       4961.25450000
       1851.57780000
        747.05874000
        322.07342000
        143.26168000
         65.47808700
         30.35690200
         14.15783600
          6.73937020
          3.09856980
          1.42244490
          0.64257575
          0.26445769
          0.12879178
        542.81246e-4
          0.01748286
  0.000492617580 -0.000224640020  0.000091552034
  0.002206558400 -0.001007541100  0.000412852620
  0.011480123000 -0.005297210000  0.002163681200
  0.044114979000 -0.020722425000  0.008530309500
  0.138651340000 -0.067871925000  0.028038512000
  0.316835710000 -0.165161550000  0.069431242000
  0.419921410000 -0.231284150000  0.097613458000
  0.221472270000  0.014515489000 -0.021212615000
  0.024204894000  0.512939350000 -0.306650490000
  0.002420004200  0.488968280000 -0.315578120000
 -0.001268723000  0.087336529000  0.337657500000
  0.000692172990  0.002043466200  0.627004860000
 -0.000444426570  0.000498040430  0.250472150000
  0.000256494370  0.000088213020  0.017287405000
 -0.000150300840 -0.000078476078  0.000851716560
  0.000053187074  0.000027754060  0.000091664724
 -0.000012090097 -0.000007374077  0.000040085289
   12    1
 35.177919000000
       1851.57780000
        747.05874000
        322.07342000
        143.26168000
         65.47808700
         30.35690200
         14.15783600
          6.73937020
          3.09856980
          1.42244490
          0.64257575
          0.26445769
  0.000282591040
  0.001472149400
  0.008467170800
  0.037277210000
  0.125803460000
  0.295389730000
  0.415145360000
  0.285348420000
  0.066159500000
  0.000980048710
  0.000962859500
 -0.000252308330
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Tl.NR-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]
********************************************************************************
*core[Xe,4f] val[5d,6s,6p]     (11,1,1/9111/611*/4o1)=3s4p3d2f recommended
*
* - (5o) f orthogonality function is the 4f core orbital
*
*TL-DSP(A3/A2/71/5)            (A111/9111/611/41)
********************************************************************************
    13.0   3
* s-type functions
   13    1
     130390.70100000
      19371.13580000
       4323.39190000
       1194.24854000
        151.47749600
         70.11116970
         31.56639320
         23.27241670
          5.61693995
          1.34373903
       7276.23093e-4
       1347.42537e-4
       5112.75379e-5
 -0.000113919270
 -0.000880712556
 -0.004196104660
 -0.011198771600
  0.056865355100
  0.027991141000
 -0.110237036000
 -0.101448742000
  0.414496474000
 -0.373843318000
 -0.377844560000
  0.721201624000
  0.479250648000
* p-type functions
   12    1
       3562.50129000
        846.06863900
        272.20822500
         46.08720700
         19.92318700
         13.70438650
          6.51785148
          1.68539182
       6443.93218e-4
       3273.30202e-4
       1028.71911e-4
       3632.45808e-5
  0.000834524694
  0.005635945260
  0.015062560300
 -0.047484886400
 -0.047371453100
  0.073856778700
  0.107653903000
 -0.193064652000
 -0.201409847000
  0.178764464000
  0.589692431000
  0.437733512000
* d-type functions
    8    2
        631.37562900
        187.24519300
         69.26961700
         15.54158620
          8.98213658
          1.49833490
       4821.14854e-4
          0.14600000
  0.006943182920  0.000000000000
  0.042862490000  0.000000000000
  0.094320320600  0.000000000000
 -0.104405492000  0.000000000000
 -0.227399337000  0.000000000000
  0.613870982000  0.000000000000
  0.513255377000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         99.70000000
         33.26000000
         13.06000000
          5.25900000
          1.96400000
  0.064827554000
  0.267550600000
  0.465924430000
  0.395027680000
  0.123856940000
********************************************************************************
* Core AIMP: TL-4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  4.2296900000e6  1.7214300000e5  5.0151800000e4  1.6543800000e4  6.0039500000e3  2.2660400000e3  8.5345500000e2  3.8215000000e2  1.3728600000e2 72.100400000000 15.186700000000
  8.288580000000  2.687530000000  1.286670000000
  0.039917696923  0.038148174615  0.063893340000  0.104097353846  0.152441776923  0.191261215385  0.322478023077  0.446278623077  0.374718338462  0.969023692308  1.314090307692
  0.591709046154  0.498490261538  0.124221400000
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  5.7030944000e3  9.6912035000e2  2.3430095000e2 53.766884000000  9.237553300000
     215100.00000000
      39070.00000000
      10748.00000000
       3633.00000000
       1406.90000000
        600.60000000
        210.60000000
         98.26000000
         38.04000000
         20.63000000
          8.70400000
          4.64900000
          1.89700000
          1.00160000
          0.46470000
  0.005882548400  0.002037195700  0.000944045980  0.000480325660  0.000208558340
  0.032994984000  0.010905807000  0.005314202500  0.002623171700  0.001140236700
  0.119609050000  0.043948516000  0.020745292000  0.010526897000  0.004574398800
  0.298056050000  0.118975050000  0.059510066000  0.029665370000  0.012916113000
  0.419553340000  0.242558460000  0.122775150000  0.063447765000  0.027689935000
  0.247779960000  0.166658590000  0.099489676000  0.050761729000  0.022308387000
  0.028082998000 -0.471548080000 -0.399532760000 -0.224800860000 -0.100785100000
 -0.007575225100 -0.622565500000 -0.702263380000 -0.458469500000 -0.212237630000
  0.004637055100 -0.113272470000  0.509590950000  0.543951220000  0.281357330000
 -0.003608745500  0.029085394000  0.792509950000  1.005262100000  0.554959530000
  0.002220212600 -0.012273584000  0.120564090000 -0.600702730000 -0.462489350000
 -0.001462052900  0.007411509600 -0.018695799000 -0.878647280000 -1.025928500000
  0.000744527500 -0.003511341700  0.006601651500 -0.093023100000  0.417091130000
 -0.000410437620  0.001881599600 -0.003368373100  0.010880539000  0.881690330000
  0.000095437837 -0.000433767900  0.000695160140 -0.002369484600  0.198951450000
   12    4
  9.3145344000e2  2.1639360000e2 45.835389000000  6.462739000000
       7416.00000000
       1923.00000000
        677.30000000
        275.60000000
        122.68000000
         53.19000000
         25.67000000
         11.12900000
          5.36600000
          2.20000000
          1.01490000
          0.42120000
  0.011130151000  0.005523408200  0.002810775700  0.001144243500
  0.069087878000  0.036950641000  0.018269684000  0.007510394000
  0.240609610000  0.132692880000  0.068387211000  0.028051457000
  0.443590970000  0.279402420000  0.143965260000  0.059719024000
  0.344658240000  0.127290580000  0.058162597000  0.022539677000
  0.067770208000 -0.494117800000 -0.412796640000 -0.187465190000
 -0.004956481300 -0.555661070000 -0.398426990000 -0.176759140000
  0.002396744800 -0.101613730000  0.538168610000  0.359990160000
 -0.001349963400  0.007872035800  0.638290000000  0.443003470000
  0.000622347600 -0.003498405200  0.086291154000 -0.444055140000
 -0.000297448120  0.001639763400 -0.006396135000 -0.656441980000
  0.000082378709 -0.000406049890  0.001706406800 -0.158144230000
   10    2
  1.8341698000e2 31.305918000000
        787.40000000
        252.10000000
        103.97000000
         48.16000000
         23.70400000
         12.29300000
          6.54300000
          3.90140000
          2.85250000
          1.44690000
  0.024830415000  0.013058093000
  0.137338810000  0.074180667000
  0.348101180000  0.191643290000
  0.434883510000  0.210682930000
  0.223687980000 -0.084290722000
  0.036311726000 -0.426913430000
  0.005362937100 -0.417168850000
 -0.002658669700 -0.118873570000
  0.001697856300 -0.078182226000
 -0.000189776230 -0.012494897000
    5    1
 11.570473000000
         99.70000000
         33.26000000
         13.06000000
          5.25900000
          1.96400000
  0.064827554000
  0.267550600000
  0.465924430000
  0.395027680000
  0.123856940000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         C.2.1.4. Group IVA Elements
********************************************************************************

/C.NR-AIMP.Huzinaga.5s5p1d.1s1p1d.ECP.4el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
CARBON (5s,5p,1d) -> [1s,1p,1d]
********************************************************************************
*core[He] val[2s,2p]     (41/311/1*)=2s3p1d recommended
*C-SP(5/5/1)                   (41/311/1)
********************************************************************************
     4.0   2
* s-type functions
    5    1
        168.58141200
         25.31861740
          5.42555847
       4292.48738e-4
       1381.73911e-4
 -0.013482203600
 -0.085275911400
 -0.234339036000
  0.627947866000
  0.465616327000
* p-type functions
    5    1
         19.10122860
          4.22205507
          1.22354108
       3894.96213e-4
       1225.11242e-4
  0.013619641600
  0.084810669800
  0.286237854000
  0.501444170000
  0.348979676000
* d-type functions
    1    1
          0.60000000
  1.000000000000
********************************************************************************
* Core AIMP: C-1S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  7
  2.3303366000e5  2.2911775000e4  3.6747801000e3  7.0991865000e2  1.5264877000e2 36.739553000000 10.405237000000
  0.006064024250  0.010391557000  0.022866315750  0.049538790000  0.111067505000  0.198263790000  0.101808020000
M2
  0
COREREP
 1.0
PROJOP
    0
   14    1
 22.650970000000
      84441.82600000
      12759.35700000
       2871.25620000
        812.70822000
        267.55420000
         97.03604200
         37.28562600
         14.96924500
          6.24841090
          2.69177900
          1.11936660
          0.46209858
          0.18941458
        767.03306e-4
  0.000028825455
  0.000224506640
  0.001195795800
  0.004968561900
  0.017400959000
  0.053815033000
  0.142723350000
  0.293944490000
  0.392116220000
  0.224356390000
  0.023937518000
  0.000668134490
  0.000132567530
  0.000079383046
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Si.NR-AIMP.Huzinaga.7s6p1d.1s1p1d.ECP.4el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
SILICON (7s,6p,1d) -> [1s,1p,1d]
********************************************************************************
*core[Ne] val[3s,3p]     (61/411/1*)=2s3p1d recommended
*SI-SP(7/6/1)                  (61/411/1)
********************************************************************************
     4.0   2
* s-type functions
    7    1
       1019.38820000
        154.03267200
         34.40348050
          3.25620144
          1.39539327
          0.23467257
       8541.76856e-5
  0.003926155450
  0.026113519600
  0.075664801700
 -0.214878533000
 -0.287407059000
  0.686551746000
  0.469942081000
* p-type functions
    6    1
         52.17188610
         11.68495760
          3.16302756
       3196.19546e-4
       1218.88206e-4
        483.25919e-4
 -0.014783589900
 -0.075567568700
 -0.145757556000
  0.398060996000
  0.521482334000
  0.201606412000
* d-type functions
    1    1
          0.26200000
  1.000000000000
********************************************************************************
* Core AIMP: SI-2P
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  3.2166105000e5  4.3207704000e4  8.2749011000e3  1.7499335000e3  4.0057869000e2 99.579081000000 21.081645000000  6.788562600000  2.633394000000
  0.019932660750  0.027521627500  0.059055627500  0.127133505000  0.266990900000  0.380386825000  0.535311300000  0.845961450000  0.237706120000
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.3762460000e2 12.312782000000
     631145.44000000
      89021.17600000
      18130.99600000
       4751.49840000
       1458.10950000
        508.45829000
        187.48272000
         71.84210400
         29.11579900
         12.40834200
          5.50177690
          2.49573520
          1.12045560
          0.38698802
          0.15306516
          0.05846127
  0.000020233255 -0.000005387144
  0.000180543090 -0.000048036206
  0.001083673100 -0.000288932080
  0.005004610400 -0.001336325800
  0.018817651000 -0.005082270200
  0.060324053000 -0.016661430000
  0.169890290000 -0.050122957000
  0.350747640000 -0.120459180000
  0.390551390000 -0.191879150000
  0.146320610000 -0.089848723000
  0.007910332200  0.265568560000
  0.002206755900  0.566537370000
 -0.000336545280  0.318964490000
  0.000186398130  0.014619352000
 -0.000097392764 -0.000432443900
  0.000025334274  0.000107811040
   11    1
  8.511646000000
        508.45829000
        187.48272000
         71.84210400
         29.11579900
         12.40834200
          5.50177690
          2.49573520
          1.12045560
          0.38698802
          0.15306516
          0.05846127
  0.001355360500
  0.005033847000
  0.023662514000
  0.079060858000
  0.199051660000
  0.332969550000
  0.364537120000
  0.197118140000
  0.021527641000
 -0.002633550300
  0.001021561000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ge.NR-AIMP.Huzinaga.9s8p4d.1s1p2d.ECP.4el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
GERMANIUM (9s,8p,4d) -> [1s,1p,2d]
********************************************************************************
*core[Ar,3d] val[4s,4p]     (711/611/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
********************************************************************************
*GE-SP(9/8/31)                 (711/611/31)
     4.0   2
* s-type functions
    9    1
       5719.40504000
        865.76337600
        196.33225400
         20.02453180
          8.27608211
          3.69062030
          1.51009337
       2315.57433e-4
       8521.71077e-5
 -0.001651336610
 -0.011356245900
 -0.035401663500
  0.151082837000
  0.088086113600
 -0.217222672000
 -0.399557286000
  0.708013535000
  0.458506828000
* p-type functions
    8    1
        457.76219400
        106.97527500
         32.80932780
          4.56503282
          1.86856166
       3521.71136e-4
       1410.27613e-4
       5384.00183e-5
  0.003460598430
  0.021597689700
  0.052206362100
 -0.123255365000
 -0.132453694000
  0.301195386000
  0.546545935000
  0.290453577000
* d-type functions
    4    2
         14.78090000
          3.63307000
          0.93854000
          0.24600000
  0.312889529000  0.000000000000
  0.599537247000  0.000000000000
  0.377203025000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: GE-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  6.6817088000e5  1.2478859000e5  2.8572403000e4  6.6295546000e3  1.7056954000e3  5.1286719000e2  1.4457550000e2 48.966203000000 10.877774000000  4.046275300000  1.323705900000
  0.041001972500  0.045281610000  0.095926730000  0.199869050000  0.364037325000  0.472747175000  0.782330525000  1.324682950000  1.346485525000  1.994685600000  0.332951550000
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  8.1048716000e2  1.0429907000e2 14.380264000000
   14013885.00000000
    2455207.30000000
     609347.20000000
     175185.27000000
      50728.15800000
      15735.23000000
       5186.66000000
       1833.25230000
        703.27691000
        285.28140000
        120.76523000
         51.95154200
         22.83162300
         10.06620000
          4.43617380
          1.94167910
          0.85720670
          0.35428505
          0.15432947
        626.29121e-4
  0.000003107516 -0.000000966697  0.000000372197
  0.000020121204 -0.000006254255  0.000002413996
  0.000095008634 -0.000029571226  0.000011374333
  0.000444361790 -0.000138185310  0.000053362323
  0.002011256400 -0.000627283310  0.000241365640
  0.008080952400 -0.002529756600  0.000977726100
  0.029708682000 -0.009452351700  0.003645203200
  0.091577660000 -0.030273229000  0.011787290000
  0.223935830000 -0.081654152000  0.031994317000
  0.386298900000 -0.174801340000  0.071084297000
  0.330531900000 -0.225705780000  0.095962302000
  0.075863370000  0.049222834000 -0.021143519000
  0.000045244559  0.627647910000 -0.420324000000
  0.000821542160  0.445977940000 -0.440420570000
 -0.000372151740  0.024653224000  0.435667560000
  0.000131838490  0.011905692000  0.731922200000
 -0.000078179115 -0.005861262100  0.177092600000
  0.000038320548  0.003313989200 -0.001378409800
 -0.000017126276 -0.001573416900  0.001633848700
  0.000004472409  0.000411141870 -0.000259016820
   14    2
 92.470548000000 10.321464000000
       5186.66000000
       1833.25230000
        703.27691000
        285.28140000
        120.76523000
         51.95154200
         22.83162300
         10.06620000
          4.43617380
          1.94167910
          0.85720670
          0.35428505
          0.15432947
        626.29121e-4
  0.000608414030 -0.000234997440
  0.002499708200 -0.000960999350
  0.012543631000 -0.004897971100
  0.047827412000 -0.018891722000
  0.152621980000 -0.062906154000
  0.343404560000 -0.149104890000
  0.426748420000 -0.195812910000
  0.187897380000  0.058074226000
  0.011856146000  0.475515610000
  0.003820197900  0.467723460000
 -0.001471382900  0.131791430000
  0.000900951390  0.005214298900
 -0.000440727130  0.000937172770
  0.000127032720 -0.000055868389
    9    1
  3.268116800000
        285.28140000
        120.76523000
         51.95154200
         22.83162300
         10.06620000
          4.43617380
          1.94167910
          0.85720670
          0.35428505
  0.001353026700
  0.005992360300
  0.028372264000
  0.096620050000
  0.236579700000
  0.357228500000
  0.343953220000
  0.201257400000
  0.055785848000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Sn.NR-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]
********************************************************************************
*core[Kr] val[4d,5s,5p]     (911/811/511*)=3s3p3d recommended
*SN-DSP(A1/A0/61)              (911/811/511)
********************************************************************************
    14.0   2
* s-type functions
   11    1
      14251.66670000
       2157.05254000
        491.26867100
         53.83620060
         25.62442710
         11.01737670
          6.28158021
          2.07962720
          1.01082015
       1742.83179e-4
       6724.80386e-5
  0.000950721856
  0.006619262310
  0.021227197400
 -0.092215732400
 -0.054036033600
  0.140125112000
  0.258078545000
 -0.264459655000
 -0.500599492000
  0.750804038000
  0.451573090000
* p-type functions
   10    1
       1249.93375000
        294.78475700
         93.08605350
         14.70116760
          8.08434849
          2.46088772
          1.12613151
       2521.20675e-4
       1089.62013e-4
       4418.71624e-5
 -0.001863185530
 -0.012162110700
 -0.030961252500
  0.078712818300
  0.059961424400
 -0.168473038000
 -0.183866793000
  0.319877204000
  0.553205843000
  0.266457930000
* d-type functions
    7    2
        173.87570600
         50.20507990
         17.48006830
          2.72181460
          1.08934725
       4028.82133e-4
          0.18300000
 -0.019482274600  0.000000000000
 -0.105187373000  0.000000000000
 -0.204308680000  0.000000000000
  0.437905901000  0.000000000000
  0.508267689000  0.000000000000
  0.205341384000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: SN-4P
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.8468529000e5  5.9448301000e4  1.4116555000e4  4.0129793000e3  1.2772952000e3  3.9125799000e2  1.4807053000e2 44.178099000000 19.641815000000  4.699694800000  2.484267500000
  1.186271000000
  0.029332807143  0.035589942143  0.065184946429  0.111157042857  0.150490071429  0.229833992857  0.392642085714  0.289208921429  0.741001428571  0.220593500000  0.282557150000
  0.023836690714
M2
  0
COREREP
 1.0
PROJOP
    2
   21    4
  2.0824444000e3  3.1395404000e2 63.196808000000 11.023771000000
   15109812.00000000
    2383953.30000000
     596886.46000000
     167514.67000000
      51223.97900000
      16346.76900000
       5649.32100000
       2120.25280000
        860.58613000
        372.87948000
        166.84710000
         76.48567700
         35.58235000
         16.56504800
          7.84632370
          3.63341800
          1.67937050
          0.76206806
          0.31202397
          0.15495822
          0.06775730
  0.000009383532 -0.000003034635  0.000001334672 -0.000000579925
  0.000063102554 -0.000020409684  0.000008979240 -0.000003895621
  0.000311102380 -0.000100657210  0.000044267561 -0.000019247568
  0.001392415700 -0.000451087600  0.000198514840 -0.000086097917
  0.005851508400 -0.001903106600  0.000837543170 -0.000364270880
  0.022469722000 -0.007396841900  0.003262594900 -0.001415486200
  0.072689322000 -0.024737413000  0.010955615000 -0.004772925700
  0.188877400000 -0.069818052000  0.031310298000 -0.013617851000
  0.348320760000 -0.155013440000  0.071373355000 -0.031399181000
  0.364384810000 -0.231427980000  0.113010310000 -0.049786596000
  0.138084490000 -0.081643309000  0.043766206000 -0.020894295000
  0.003826262300  0.471162760000 -0.334119450000  0.163040610000
  0.002676643800  0.591712870000 -0.639055700000  0.328838640000
 -0.001785506500  0.119829860000  0.156770480000 -0.083376691000
  0.001099744200  0.005155878100  0.925503620000 -0.935404110000
 -0.000700485940 -0.002263761000  0.248327770000 -0.156742220000
  0.000427981350  0.001496306000  0.001378301100  0.965409460000
 -0.000233889940 -0.001012442000  0.003040595400  0.417843660000
  0.000133249570  0.000589824090 -0.000717257750  0.010244049000
 -0.000070668049 -0.000317058110  0.000290928140  0.001676364200
  0.000017003021  0.000077400017 -0.000066764567 -0.000230498800
   17    3
  2.9297716000e2 54.416894000000  7.936932200000
      16346.76900000
       5649.32100000
       2120.25280000
        860.58613000
        372.87948000
        166.84710000
         76.48567700
         35.58235000
         16.56504800
          7.84632370
          3.63341800
          1.67937050
          0.76206806
          0.31202397
          0.15495822
          0.06775730
        213.01278e-4
  0.000424492530 -0.000194637740  0.000080926284
  0.001889837500 -0.000867656830  0.000361169360
  0.009772428000 -0.004529720600  0.001887227600
  0.037675810000 -0.017748852000  0.007423585500
  0.120435450000 -0.058941621000  0.024814094000
  0.287493490000 -0.149275380000  0.063658573000
  0.420222540000 -0.233684700000  0.101042060000
  0.261843070000 -0.048518663000  0.009430428800
  0.039361742000  0.458587760000 -0.274914970000
  0.002119928300  0.542333170000 -0.368689480000
 -0.000916349600  0.120774800000  0.255687320000
  0.000508935510  0.003038956000  0.652050470000
 -0.000358660110  0.000913335560  0.294260310000
  0.000211022610 -0.000092568436  0.020975003000
 -0.000129311120  0.000019416870  0.000980788060
  0.000045990605 -0.000007187843  0.000023117413
 -0.000009687792  0.000000172150  0.000064573831
   12    1
 38.325770000000
       2120.25280000
        860.58613000
        372.87948000
        166.84710000
         76.48567700
         35.58235000
         16.56504800
          7.84632370
          3.63341800
          1.67937050
          0.76206806
          0.31202397
  0.000230621990
  0.001210760400
  0.006877421100
  0.031091019000
  0.108186530000
  0.270548500000
  0.414077750000
  0.316346470000
  0.083227144000
  0.002626474300
  0.000936950080
 -0.000245874380
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Pb.NR-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]
********************************************************************************
*core[Xe,4f] val[5d,6s,6p]     (11,1,1/9111/611*/4o1)=3s4p3d2f recommended
*
* - (5o) f orthogonality function is the 4f core orbital
*
*PB-DSP(A3/A2/71/5)            (A111/9111/611/41)
********************************************************************************
    14.0   3
* s-type functions
   13    1
     129796.35500000
      19457.56180000
       4376.14970000
       1216.70534000
        157.97182400
         73.73437600
         34.10925430
         23.34288220
          5.70918044
          2.22386374
       9847.24801e-4
       1504.39546e-4
        588.46352e-4
 -0.000130625197
 -0.000995330763
 -0.004688261500
 -0.012393364900
  0.060214188600
  0.037467443500
 -0.121988080000
 -0.117160572000
  0.487455968000
 -0.145903855000
 -0.690186354000
  0.802979874000
  0.402993450000
* p-type functions
   12    1
       3710.36002000
        881.23606500
        282.45798500
         46.80351390
         20.86293550
         14.37916100
          7.04257800
          1.79849637
       8421.54381e-4
       2417.54076e-4
       1042.16457e-4
       4196.41577e-5
  0.000980195288
  0.006668520140
  0.018179702900
 -0.058844864300
 -0.048582729400
  0.074278887900
  0.136381323000
 -0.216047851000
 -0.185220045000
  0.286262013000
  0.579236872000
  0.288734207000
* d-type functions
    8    2
        648.20271300
        192.54125200
         71.41812350
         15.97937610
          9.27682250
          1.61479695
       5405.60217e-4
          0.16400000
  0.007314775350  0.000000000000
  0.045062072700  0.000000000000
  0.098978741400  0.000000000000
 -0.113619414000  0.000000000000
 -0.235233476000  0.000000000000
  0.623532866000  0.000000000000
  0.497553069000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         99.00000000
         33.06000000
         13.03000000
          5.30900000
          2.02400000
  0.070812319000
  0.282982160000
  0.471328330000
  0.377301200000
  0.109937750000
********************************************************************************
* Core AIMP: PB-4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  4.3477900000e6  1.7557000000e5  5.1034300000e4  1.6810800000e4  6.1010900000e3  2.3048800000e3  8.7136800000e2  3.9194300000e2  1.4202400000e2 74.633900000000 15.696700000000
  8.660130000000  2.835300000000  1.390490000000
  0.037233227643  0.035674494929  0.059817031500  0.097406160714  0.142267250000  0.178182325000  0.300242290000  0.413043361429  0.342021364286  0.905562207143  1.237595250000
  0.529488782143  0.464617510000  0.113991598571
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  5.8507395000e3  9.9718831000e2  2.4247675000e2 56.439899000000 10.111091000000
     347100.00000000
      60900.00000000
      16080.00000000
       5170.00000000
       1878.00000000
        738.80000000
        223.30000000
        105.60000000
         42.14000000
         23.06000000
          9.85000000
          5.39100000
          2.44900000
          1.24800000
          0.56450000
  0.003378031900  0.001202962000  0.000562413240  0.000284867640  0.000128478110
  0.020402534000  0.006566782100  0.003178808100  0.001584940900  0.000685929860
  0.081104617000  0.029527375000  0.014013786000  0.007083653500  0.003165631400
  0.237365490000  0.088918261000  0.043743136000  0.021986542000  0.009597413900
  0.426358800000  0.221289350000  0.111460580000  0.057052161000  0.025487249000
  0.340498190000  0.231181410000  0.130055190000  0.067493462000  0.029633802000
  0.051089172000 -0.420692440000 -0.348026020000 -0.197526530000 -0.088677417000
 -0.020081725000 -0.646533270000 -0.733312900000 -0.472830940000 -0.224324110000
  0.013918522000 -0.134305640000  0.359266610000  0.374916040000  0.203324930000
 -0.011064732000  0.030315205000  0.884853450000  1.123278100000  0.612372550000
  0.007282475900 -0.013294153000  0.169081010000 -0.355434920000 -0.246685990000
 -0.005203491700  0.008537831900 -0.026709393000 -1.012079000000 -1.159568800000
  0.002585062900 -0.003890784400  0.009534945600 -0.158770710000  0.077839859000
 -0.001200926700  0.001737132700 -0.003944226100  0.005993709000  1.047618800000
  0.000267228220 -0.000382174150  0.000754480470 -0.001977907000  0.305035870000
   12    4
  9.5896273000e2  2.2425273000e2 48.324820000000  7.221383500000
       7396.00000000
       1916.00000000
        677.30000000
        277.60000000
        124.28000000
         54.59000000
         26.47000000
         11.75900000
          5.68600000
          2.35000000
          1.09790000
          0.46220000
  0.011664120000  0.005828426800  0.002957521900  0.001226592700
  0.072228907000  0.038627076000  0.019270293000  0.008081545700
  0.246028840000  0.136572020000  0.070489776000  0.029470794000
  0.443626360000  0.279661210000  0.145349150000  0.061535260000
  0.337425940000  0.121683220000  0.053754723000  0.020929550000
  0.065117933000 -0.494998600000 -0.412576360000 -0.191132030000
 -0.004142850200 -0.551283480000 -0.405939990000 -0.184897710000
  0.002024202900 -0.103315760000  0.518796880000  0.355369660000
 -0.001121396100  0.006026325200  0.656111910000  0.470008480000
  0.000513442230 -0.002887026600  0.093892769000 -0.433570350000
 -0.000244613910  0.001373293500 -0.006993090900 -0.671286180000
  0.000067601260 -0.000332282750  0.001833167700 -0.156940520000
   10    2
  1.9068787000e2 33.441817000000
        672.40000000
        208.10000000
         81.47000000
         35.56000000
         15.40400000
          6.93300000
          3.00300000
          1.34140000
          0.57250000
          0.22590000
  0.036224088000  0.019475479000
  0.200125340000  0.108541810000
  0.455272680000  0.253592390000
  0.413221530000  0.117628760000
  0.103125620000 -0.430103300000
 -0.001080461800 -0.558596010000
  0.002444613600 -0.153105360000
 -0.001156969400 -0.000071933246
  0.000489832620 -0.002437836700
 -0.000145722430  0.000669765380
    5    1
 13.164856000000
         99.00000000
         33.06000000
         13.03000000
          5.30900000
          2.02400000
  0.070812319000
  0.282982160000
  0.471328330000
  0.377301200000
  0.109937750000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         C.2.1.5. Group VA Elements
********************************************************************************

/N.NR-AIMP.Huzinaga.5s5p1d.1s1p1d.ECP.5el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
NITROGEN (5s,5p,1d) -> [1s,1p,1d]
********************************************************************************
*core[He] val[2s,2p]     (41/311/1*)=2s3p1d recommended
*N-SP(5/5/1)                   (41/311/1)
********************************************************************************
     5.0   2
* s-type functions
    5    1
        234.34567100
         35.37107520
          7.69167717
       6167.16845e-4
       1952.50285e-4
 -0.013706373200
 -0.087089590200
 -0.239166439000
  0.626808775000
  0.468703637000
* p-type functions
    5    1
         26.84680320
          6.00068835
          1.75687218
       5594.46959e-4
       1736.62864e-4
  0.014502173800
  0.090889500800
  0.296986585000
  0.498769838000
  0.339212317000
* d-type functions
    1    1
          0.86400000
  1.000000000000
********************************************************************************
* Core AIMP: N-1S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  7
  2.4957495000e5  2.5950235000e4  4.3165926000e3  8.5452037000e2  1.8810814000e2 46.985771000000 13.841363000000
  0.005433674000  0.008965793200  0.019518872400  0.042079928000  0.093025226000  0.156529416000  0.074447090000
M2
  0
COREREP
 1.0
PROJOP
    0
   14    1
 31.258034000000
     119657.57000000
      17980.37100000
       4150.40070000
       1189.94220000
        389.70172000
        139.00490000
         52.59830300
         20.96540500
          8.72941610
          3.74763940
          1.56229860
          0.64519308
          0.26362662
          0.10550470
  0.000027858954
  0.000214107800
  0.001099096200
  0.004559919800
  0.016345838000
  0.052136306000
  0.141049410000
  0.293494570000
  0.394403760000
  0.226054920000
  0.024306391000
  0.001246214400
  0.000084751683
  0.000118067000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/P.NR-AIMP.Huzinaga.7s6p1d.1s1p1d.ECP.5el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
PHOSPHORUS (7s,6p,1d) -> [1s,1p,1d]
********************************************************************************
*core[Ne] val[3s,3p]     (61/411/1*)=2s3p1d recommended
*P-SP(7/6/1)                   (61/411/1)
********************************************************************************
     5.0   2
* s-type functions
    7    1
       1182.65578000
        178.71812500
         39.95986100
          3.76261756
          1.68327617
       3115.42761e-4
       1133.85539e-4
  0.004252469160
  0.028403699900
  0.083068990100
 -0.249285703000
 -0.288240733000
  0.691854961000
  0.477622748000
* p-type functions
    6    1
         63.65666070
         14.38185550
          3.98215497
          0.43364640
       1691.00548e-4
       6736.73173e-5
 -0.015722461700
 -0.081979900000
 -0.161699377000
  0.411825456000
  0.511817221000
  0.195870195000
* d-type functions
    1    1
          0.34000000
  1.000000000000
********************************************************************************
* Core AIMP: P-2P
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  3.2516401000e5  4.2054732000e4  8.0850454000e3  1.7495593000e3  4.0985995000e2  1.0450231000e2 22.907208000000  7.704350800000  3.090531300000
  0.017335409600  0.024512684000  0.051323672000  0.109124226000  0.224766500000  0.301025580000  0.451452880000  0.661572260000  0.158886804000
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.5993904000e2 15.021873000000
     863942.88000000
     134721.08000000
      27439.34800000
       7356.73860000
       2256.06140000
        750.26785000
        268.98537000
        102.51380000
         40.78958800
         16.64209100
          6.89342480
          2.94199210
          1.29493440
          0.50197017
          0.20100313
        775.49886e-4
  0.000015275580 -0.000004150246
  0.000126575010 -0.000034343930
  0.000764529170 -0.000207982800
  0.003388094500 -0.000921501290
  0.013488302000 -0.003705678600
  0.047245985000 -0.013198979000
  0.137658610000 -0.040697682000
  0.308256150000 -0.103004260000
  0.419376520000 -0.191300120000
  0.208121390000 -0.139900760000
  0.010644807000  0.257464270000
  0.004889160600  0.613187910000
 -0.002215556300  0.292466450000
  0.001142309200  0.010160943000
 -0.000544478040  0.001710196900
  0.000148379430 -0.000278482040
   11    1
 10.801506000000
        750.26785000
        268.98537000
        102.51380000
         40.78958800
         16.64209100
          6.89342480
          2.94199210
          1.29493440
          0.50197017
          0.20100313
        775.49886e-4
  0.000933162700
  0.003701046200
  0.017899452000
  0.065690932000
  0.191962630000
  0.362598920000
  0.388031640000
  0.170928690000
  0.015030430000
 -0.000407080360
  0.000251916390
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/As.NR-AIMP.Huzinaga.9s8p4d.1s1p2d.ECP.5el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
ARSENIC (9s,8p,4d) -> [1s,1p,2d]
********************************************************************************
*core[Ar,3d] val[4s,4p]     (711/611/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*AS-SP(9/8/31)                 (711/611/31)
********************************************************************************
     5.0   2
* s-type functions
    9    1
       6111.35826000
        925.47074400
        209.94117700
         21.12645940
          7.66135505
          4.23915236
          1.69772122
       2812.83397e-4
       1050.72898e-4
 -0.001789001950
 -0.012312054400
 -0.038562591900
  0.172248839000
  0.121628573000
 -0.261215249000
 -0.440475847000
  0.724897758000
  0.458208780000
* p-type functions
    8    1
        494.19603100
        115.30477800
         35.35822610
          4.98111542
          2.09339200
       4261.21453e-4
       1765.39422e-4
       6903.64416e-5
  0.003894191780
  0.024538648000
  0.059759315700
 -0.139798773000
 -0.150653767000
  0.327993957000
  0.546605762000
  0.262790454000
* d-type functions
    4    2
         17.01300000
          4.25822000
          1.13735200
          0.29300000
  0.301498842000  0.000000000000
  0.600299191000  0.000000000000
  0.377507171000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: AS-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  4.8495878000e5  8.8634843000e4  2.2298484000e4  6.0248223000e3  1.7365054000e3  5.3224528000e2  1.4680340000e2 50.827620000000  4.487007900000  1.600827300000 11.429694000000
  0.040663774000  0.043527638000  0.082208106000  0.157130106000  0.283238280000  0.389477860000  0.656204420000  1.041031160000  1.542923180000  0.261623720000  1.101971720000
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  8.6417102000e2  1.1261840000e2 16.057867000000
   14942497.00000000
    2634067.30000000
     661602.65000000
     192455.76000000
      56280.00500000
      17562.04200000
       5801.45360000
       2049.69010000
        785.72495000
        319.05927000
        135.52959000
         58.62245400
         25.90213300
         11.52934400
          5.11261020
          2.25809540
          1.01039820
          0.42220202
          0.18714397
        775.48972e-4
  0.000003096386 -0.000000966248  0.000000376022
  0.000019766976 -0.000006164600  0.000002403673
  0.000091763954 -0.000028648527  0.000011139949
  0.000422958870 -0.000131968470  0.000051477827
  0.001896384600 -0.000593215010  0.000230748320
  0.007589502700 -0.002383126800  0.000930332880
  0.027961404000 -0.008914266400  0.003475159100
  0.086761880000 -0.028698663000  0.011282150000
  0.214502890000 -0.077902733000  0.030847055000
  0.378095150000 -0.168897830000  0.069203363000
  0.341726760000 -0.227661890000  0.097708506000
  0.089097828000  0.014551421000 -0.004990954300
 -0.000018399150  0.596378720000 -0.392289020000
  0.001415115300  0.485496540000 -0.480023240000
 -0.000750919350  0.040405848000  0.362975240000
  0.000370715550  0.010949302000  0.763478560000
 -0.000220966140 -0.005338954600  0.210399840000
  0.000114850130  0.003110779700 -0.000136885580
 -0.000052927828 -0.001511049300  0.001946782100
  0.000013796480  0.000392537100 -0.000268978080
   14    2
  1.0030607000e2 11.759991000000
       5801.45360000
       2049.69010000
        785.72495000
        319.05927000
        135.52959000
         58.62245400
         25.90213300
         11.52934400
          5.11261020
          2.25809540
          1.01039820
          0.42220202
          0.18714397
        775.48972e-4
  0.000561078640 -0.000220036030
  0.002314172500 -0.000902477820
  0.011656567000 -0.004619896700
  0.044595594000 -0.017855366000
  0.143252610000 -0.059837451000
  0.329067170000 -0.144542270000
  0.428954700000 -0.200912010000
  0.207816430000  0.028152623000
  0.017284832000  0.457151670000
  0.003636758700  0.487682640000
 -0.001348063600  0.146160310000
  0.000856808660  0.006566282600
 -0.000426988930  0.000665296900
  0.000123303410 -0.000109230380
    9    1
  4.223970000000
        319.05927000
        135.52959000
         58.62245400
         25.90213300
         11.52934400
          5.11261020
          2.25809540
          1.01039820
          0.42220202
  0.001299404800
  0.005651588100
  0.027270776000
  0.093019274000
  0.232220720000
  0.360677950000
  0.348696460000
  0.195887070000
  0.049335670000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Sb.NR-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]
********************************************************************************
*core[Kr] val[4d,5s,5p]     (911/811/511*)=3s3p3d recommended
*SB-DSP(A1/A0/61)              (911/811/511)
********************************************************************************
    15.0   2
* s-type functions
   11    1
      14930.24130000
       2263.01472000
        515.79286200
         53.79876460
         16.69823940
         11.07367660
          4.21053785
          2.54329189
          1.07167828
          0.21225157
       8300.21466e-5
  0.001019927040
  0.007094637690
  0.022906914300
 -0.114681476000
 -0.133678134000
  0.365264637000
  0.308165781000
 -0.446577415000
 -0.541306646000
  0.757078223000
  0.476036341000
* p-type functions
   10    1
       1315.67730000
        311.51133300
         98.51455610
         14.48560770
          6.05157769
          3.10090488
          1.33012985
       2911.75781e-4
          0.13141172
       5503.77471e-5
 -0.002067357410
 -0.013489178400
 -0.034910369600
  0.112292878000
  0.074538988500
 -0.184613333000
 -0.238610802000
  0.355696742000
  0.545200631000
  0.238053186000
* d-type functions
    7    2
        184.00039400
         53.21401160
         18.59317950
          2.94206653
          1.20015215
       4545.54267e-4
          0.21100000
 -0.019973376500  0.000000000000
 -0.108560999000  0.000000000000
 -0.212155877000  0.000000000000
  0.447539309000  0.000000000000
  0.506313045000  0.000000000000
  0.188010112000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: SB-4P
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  4.4235600000e5  7.7888300000e4  2.0292300000e4  6.1396800000e3  2.0787800000e3  7.2310100000e2  2.6017300000e2  1.1648450000e2 33.706800000000 18.294100000000  3.830340000000
  1.897030000000
  0.025350866000  0.027443747333  0.048486014000  0.082189420000  0.119668693333  0.144746006667  0.274349486667  0.280374046667  0.405592493333  0.522311226667  0.352152920000
  0.117335080000
M2
  0
COREREP
 1.0
PROJOP
    2
   21    4
  2.1711764000e3  3.2951538000e2 67.271758000000 12.125482000000
   14513511.00000000
    2489897.20000000
     648643.34000000
     186111.94000000
      56842.91900000
      18164.65700000
       6250.25450000
       2350.23310000
        956.04305000
        414.99621000
        186.65915000
         85.89381400
         40.07894600
         18.68311500
          8.86169750
          4.10720580
          1.92431540
          0.88490815
          0.36895781
          0.18700620
        829.47411e-4
  0.000009954777 -0.000003224395  0.000001424309 -0.000000627158
  0.000060782633 -0.000019682795  0.000008698368 -0.000003822665
  0.000285880790 -0.000092653390  0.000040922653 -0.000018034510
  0.001282082400 -0.000415765960  0.000183792370 -0.000080744948
  0.005388851100 -0.001755054700  0.000775680050 -0.000341915150
  0.020821608000 -0.006854264200  0.003036458200 -0.001334433400
  0.067872546000 -0.023071905000  0.010257848000 -0.004529190400
  0.177190530000 -0.065044595000  0.029272373000 -0.012892310000
  0.335486130000 -0.146827950000  0.067705851000 -0.030184334000
  0.371605510000 -0.227888210000  0.111190130000 -0.049541667000
  0.158667850000 -0.112758990000  0.060230900000 -0.028794469000
  0.007551335000  0.414442010000 -0.286152540000  0.141412850000
  0.002727593400  0.622266550000 -0.649700860000  0.335454110000
 -0.001870472900  0.157687750000  0.033593295000 -0.004186431800
  0.001185837400  0.003931737900  0.936176780000 -0.920197150000
 -0.000783015730 -0.000486720680  0.315489390000 -0.303970990000
  0.000494510220  0.000479639640 -0.002707774500  0.958949430000
 -0.000275474460 -0.000488144870  0.007303967500  0.485117880000
  0.000159670770  0.000297512240 -0.003065646200  0.017817166000
 -0.000084893223 -0.000161958270  0.001521324200  0.001191092100
  0.000020004958  0.000039605706 -0.000362501090 -0.000032369565
   17    3
  3.0800682000e2 58.211570000000  8.888611000000
      18164.65700000
       6250.25450000
       2350.23310000
        956.04305000
        414.99621000
        186.65915000
         85.89381400
         40.07894600
         18.68311500
          8.86169750
          4.10720580
          1.92431540
          0.88490815
          0.36895781
          0.18700620
        829.47411e-4
        329.62894e-4
  0.000380613900 -0.000175476950  0.000074311997
  0.001708801900 -0.000788595820  0.000333578370
  0.008788753600 -0.004093864600  0.001737136100
  0.034105938000 -0.016127018000  0.006855346800
  0.109976300000 -0.053939202000  0.023115947000
  0.268239780000 -0.139220730000  0.060294974000
  0.415689160000 -0.232232260000  0.102397230000
  0.287592750000 -0.085507612000  0.028094156000
  0.052218883000  0.414185210000 -0.251741690000
  0.001990960700  0.572123410000 -0.398377800000
 -0.000569685950  0.150576720000  0.193644830000
  0.000327503180  0.002424405000  0.661653890000
 -0.000277015290  0.002262338800  0.327490320000
  0.000168426220 -0.000876184930  0.026094322000
 -0.000108147660  0.000510514970  0.000593416950
  0.000042591485 -0.000196219880 -0.000086201419
 -0.000010970481  0.000049739672  0.000049781650
   12    1
 41.595672000000
       2350.23310000
        956.04305000
        414.99621000
        186.65915000
         85.89381400
         40.07894600
         18.68311500
          8.86169750
          4.10720580
          1.92431540
          0.88490815
          0.36895781
  0.000202208320
  0.001076444900
  0.006047604900
  0.027668542000
  0.097865944000
  0.254522030000
  0.409152960000
  0.335429270000
  0.097175273000
  0.003187344200
  0.001321607300
 -0.000362859940
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Bi.NR-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]
********************************************************************************
*core[Xe,4f] val[5d,6s,6p]     (11,1,1/9111/611*/4o1)=3s4p3d2f recommended
*
* - (5o) f orthogonality function is the 4f core orbital
*
*BI-DSP(A3/A2/71/5)            (A111/9111/611/41)
********************************************************************************
    15.0   3
* s-type functions
   13    1
     131450.07100000
      19747.20080000
       4453.50111000
       1242.55481000
        160.73122100
         75.40388460
         31.15695220
         24.68212930
          5.34630368
          4.16798717
          1.11080934
       1716.76402e-4
        685.11348e-4
 -0.000142781901
 -0.001085076230
 -0.005091519350
 -0.013380955600
  0.067290453200
  0.033375278500
 -0.182673727000
 -0.065235678200
  0.845017735000
 -0.408962904000
 -0.810382397000
  0.842342253000
  0.378983765000
* p-type functions
   12    1
       3816.42319000
        905.76931700
        290.45516000
         47.54202320
         19.51183500
         13.53712950
          6.88956217
          2.03190051
          1.02380556
       2437.82822e-4
       1092.84857e-4
       4702.50823e-5
  0.001108368600
  0.007554937570
  0.020639306800
 -0.070018595700
 -0.056176310900
  0.107290304000
  0.141681041000
 -0.211880197000
 -0.231755399000
  0.401448308000
  0.545122179000
  0.199479383000
* d-type functions
    8    2
        668.40763400
        198.66506000
         73.77200890
         16.39223910
          9.58766767
          1.73068657
       5980.72049e-4
          0.18500000
  0.007594375780  0.000000000000
  0.046898570900  0.000000000000
  0.103394395000  0.000000000000
 -0.122684486000  0.000000000000
 -0.241443848000  0.000000000000
  0.633587495000  0.000000000000
  0.482898689000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
        104.41000000
         34.97000000
         13.85000000
          5.68700000
          2.19500000
  0.068833170000
  0.278819190000
  0.470297110000
  0.379473850000
  0.110393620000
********************************************************************************
* Core AIMP: BI-4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  4.3472800000e6  1.8446000000e5  5.4239300000e4  1.8016600000e4  6.5663800000e3  2.4912200000e3  9.3817200000e2  4.1722800000e2  1.5357800000e2 77.890100000000 16.312100000000
  9.201730000000  3.010090000000  1.508910000000
  0.034538002667  0.032639012000  0.054426541333  0.088523560000  0.130454080000  0.164191313333  0.271160060000  0.394135326667  0.303858160000  0.870467066667  1.152226400000
  0.492283706667  0.436232893333  0.108197213333
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  6.0003055000e3  1.0256835000e3  2.5080992000e2 59.175000000000 10.995570000000
     249000.00000000
      44720.00000000
      12320.00000000
       4126.00000000
       1575.00000000
        660.30000000
        225.70000000
        105.50000000
         40.98000000
         22.39000000
          9.46900000
          5.15200000
          2.20700000
          1.17500000
          0.55030000
  0.005273941800  0.001833706300  0.000853735650  0.000436430930  0.000195754430
  0.029696446000  0.009784720600  0.004772329100  0.002376160800  0.001059990100
  0.108941530000  0.039911147000  0.018905719000  0.009642119800  0.004323180900
  0.283278680000  0.111474740000  0.055644099000  0.027976104000  0.012508549000
  0.423590540000  0.238060980000  0.120715360000  0.062581194000  0.028173295000
  0.269714060000  0.185127340000  0.108780700000  0.056259457000  0.025338326000
  0.032635911000 -0.452102470000 -0.380673050000 -0.216019390000 -0.099494905000
 -0.009316953300 -0.635394780000 -0.718746210000 -0.470586250000 -0.224902020000
  0.005891658500 -0.122347690000  0.464524490000  0.499965130000  0.268365390000
 -0.004656494000  0.031725130000  0.821671900000  1.050635400000  0.597033600000
  0.002985493700 -0.013927214000  0.135395870000 -0.540936660000 -0.426789760000
 -0.002070230900  0.008826322500 -0.022662224000 -0.917279610000 -1.110838200000
  0.001069215200 -0.004237063900  0.008044719600 -0.110022850000  0.341222600000
 -0.000565637070  0.002174052900 -0.003899874400  0.009493915100  0.962731170000
  0.000128013210 -0.000486714290  0.000782911410 -0.002049694200  0.211517530000
   12    4
  9.8689804000e2  2.3226823000e2 50.875346000000  7.989427700000
       6793.00000000
       1754.00000000
        619.30000000
        254.20000000
        114.68000000
         51.87000000
         25.42000000
         11.45900000
          5.62600000
          2.38500000
          1.12990000
          0.48860000
  0.014068346000  0.007087567600  0.003618853200  0.001522525200
  0.085848154000  0.046061417000  0.023068965000  0.009889312600
  0.279403230000  0.157485250000  0.081999507000  0.034856923000
  0.457405380000  0.290407500000  0.151325810000  0.065603334000
  0.292808650000  0.060365485000  0.016254610000  0.003780569300
  0.044808548000 -0.546792460000 -0.463204370000 -0.218230350000
 -0.001795829100 -0.497975910000 -0.336449180000 -0.154343020000
  0.000727939300 -0.082311514000  0.577933360000  0.409459710000
 -0.000431379110  0.004873825500  0.604507000000  0.435700620000
  0.000189367620 -0.002235917600  0.080242131000 -0.483319070000
 -0.000084132408  0.001078124800 -0.005269473200 -0.648967070000
  0.000023853150 -0.000256417820  0.001410144000 -0.137892280000
   10    2
  1.9811276000e2 35.636346000000
       1132.60000000
        365.10000000
        150.59000000
         69.74000000
         34.67400000
         17.66800000
          4.65100000
          9.05440000
          2.27530000
          0.85500000
  0.013200152000  0.006982433800
  0.081773908000  0.044429938000
  0.252902420000  0.140416300000
  0.417288900000  0.226985130000
  0.331319520000  0.083908241000
  0.102830570000 -0.308397560000
  0.000661997730 -0.280517570000
  0.008894804800 -0.507178080000
 -0.000044465463 -0.046029140000
  0.000012534462 -0.000782844480
    5    1
 14.817389000000
        104.41000000
         34.97000000
         13.85000000
          5.68700000
          2.19500000
  0.068833170000
  0.278819190000
  0.470297110000
  0.379473850000
  0.110393620000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         C.2.1.6. Group VIA Elements (Calcogens)
********************************************************************************

/O.NR-AIMP.Huzinaga.5s6p1d.1s2p1d.ECP.6el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
OXYGEN (5s,6p,1d) -> [1s,2p,1d]
********************************************************************************
*core[He] val[2s,2p]     (41/3111a/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
*
*O-SP(5/51/1)                  (41/3111/1)
********************************************************************************
     6.0   2
* s-type functions
    5    1
        314.68666700
         47.48616100
         10.38908770
       8401.25668e-4
       2631.53141e-4
 -0.013753217100
 -0.088347226200
 -0.244489827000
  0.630868935000
  0.466049770000
* p-type functions
    6    2
         34.78340920
          7.82284308
          2.30098486
       7218.45327e-4
       2154.79613e-4
          0.05900000
  0.015717655500  0.000000000000
  0.098705315200  0.000000000000
  0.308675595000  0.000000000000
  0.491476369000  0.000000000000
  0.338684521000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    1    1
          1.15400000
  1.000000000000
********************************************************************************
* Core AIMP: O-1S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  7
  2.6520754000e5  2.8994950000e4  4.9878146000e3  1.0107038000e3  2.2761180000e2 58.649698000000 17.774210000000
  0.004986032500  0.007946717000  0.017125491667  0.036712301667  0.080006373333  0.128644991667  0.057911426667
M2
  0
COREREP
 1.0
PROJOP
    0
   14    1
 41.337210000000
     164589.30000000
      24444.59200000
       5588.48360000
       1591.34530000
        514.83307000
        180.11709000
         66.90423000
         26.22395300
         10.77197300
          4.55456390
          1.89239620
          0.77844111
          0.31526075
          0.12339884
  0.000026373491
  0.000206149610
  0.001070141500
  0.004481441700
  0.016477604000
  0.053990529000
  0.148795090000
  0.310295760000
  0.400011190000
  0.201952070000
  0.015160616000
  0.002457504900
 -0.000389180500
  0.000240967780
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/S.NR-AIMP.Huzinaga.7s6p1d.1s1p1d.ECP.6el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
SULFUR (7s,6p,1d) -> [1s,1p,1d]
********************************************************************************
*core[Ne] val[3s,3p]     (61/411/1*)=2s3p1d recommended
*S-SP(7/6/1)                   (61/411/1)
********************************************************************************
     6.0   2
* s-type functions
    7    1
       1358.56623000
        205.28669400
         45.94783050
          4.27137283
          1.93464949
       4030.27068e-4
       1458.02956e-4
  0.004527643910
  0.030359306400
  0.089508179600
 -0.291467365000
 -0.280241163000
  0.694747486000
  0.490363159000
* p-type functions
    6    1
         77.32553610
         17.55914210
          4.94072815
       5609.81619e-4
       2137.36247e-4
        821.14801e-4
 -0.016004608400
 -0.085601390000
 -0.174097127000
  0.419760954000
  0.505873517000
  0.201743207000
* d-type functions
    1    1
          0.42100000
  1.000000000000
********************************************************************************
* Core AIMP: S-2P
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  3.2498501000e5  4.2169635000e4  8.0718331000e3  1.7368547000e3  4.1256100000e2  1.0842851000e2 24.540590000000  8.538505000000  3.601487500000
  0.015559888000  0.021970321667  0.046463150000  0.098923923333  0.196282866667  0.246344416667  0.403235716667  0.527170316667  0.110716063333
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  1.8400845000e2 18.008245000000
     855633.84000000
     129252.19000000
      29011.89200000
       8192.53840000
       2610.51950000
        877.87116000
        309.90741000
        116.30399000
         46.20102400
         19.06533000
          8.03693850
          3.48303610
          1.54490170
          0.60342137
          0.23776272
        898.61851e-4
  0.000019100262 -0.000005278115
  0.000149383380 -0.000041241787
  0.000796516680 -0.000220405810
  0.003362917900 -0.000930812420
  0.012900000000 -0.003603818900
  0.046061860000 -0.013090757000
  0.138861250000 -0.041730668000
  0.312660130000 -0.106718690000
  0.417106620000 -0.194564230000
  0.205041100000 -0.140413680000
  0.012274160000  0.253801600000
  0.004158279200  0.617183380000
 -0.001775416400  0.293341980000
  0.000876216870  0.010319550000
 -0.000413973920  0.002058961600
  0.000109817480 -0.000289267740
   11    1
 13.364577000000
        877.87116000
        309.90741000
        116.30399000
         46.20102400
         19.06533000
          8.03693850
          3.48303610
          1.54490170
          0.60342137
          0.23776272
        898.61851e-4
  0.000922370590
  0.003853336800
  0.018841648000
  0.068527869000
  0.194815990000
  0.363108510000
  0.385771100000
  0.162988450000
  0.013224922000
  0.000243683860
  0.000347169270
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Se.NR-AIMP.Huzinaga.9s8p4d.1s1p2d.ECP.6el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
SELENIUM (9s,8p,4d) -> [1s,1p,2d]
********************************************************************************
*core[Ar,3d] val[4s,4p]     (711/611/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*SE-SP(9/8/31)                 (711/611/31)
********************************************************************************
     6.0   2
* s-type functions
    9    1
       6463.60626000
        978.65831800
        222.15824800
         22.99556030
          8.87585686
          5.04776394
          1.99427479
       3245.11719e-4
       1221.34544e-4
 -0.001935548770
 -0.013327163800
 -0.041639116500
  0.177640132000
  0.143427097000
 -0.242432882000
 -0.504864013000
  0.763669007000
  0.427445457000
* p-type functions
    8    1
        527.38399000
        123.19239700
         37.88485900
          5.45491538
          2.39123655
       4925.33413e-4
       2000.03611e-4
       7705.43556e-5
  0.004300342110
  0.027138570500
  0.066101982800
 -0.150265649000
 -0.164549716000
  0.366835561000
  0.536913511000
  0.240895856000
* d-type functions
    4    2
         19.32550000
          4.90760000
          1.34647400
          0.33800000
  0.292367915000  0.000000000000
  0.601098312000  0.000000000000
  0.377396606000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: SE-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  4.5750775000e5  8.0031950000e4  2.0352326000e4  5.7405503000e3  1.6987633000e3  5.2871695000e2  1.4905323000e2 52.905476000000 12.137970000000  4.982635700000  1.880306700000
  0.036667651667  0.040184096667  0.072557028333  0.135603090000  0.242812683333  0.325078016667  0.562656100000  0.851665633333  0.924238516667  1.259762433333  0.215441400000
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  9.2173360000e2  1.2133668000e2 17.862928000000
   16735778.00000000
    2942678.60000000
     735854.65000000
     212547.63000000
      61724.30600000
      19133.88600000
       6287.44780000
       2220.32950000
        849.69969000
        345.33084000
        147.20289000
         63.76503900
         28.19858800
         12.66448100
          5.60143010
          2.48471810
          1.11975370
          0.47633623
          0.20754635
        850.57576e-4
  0.000002896902 -0.000000906894  0.000000356651
  0.000018611927 -0.000005820285  0.000002292123
  0.000086887453 -0.000027217835  0.000010697961
  0.000405664310 -0.000126907580  0.000049993375
  0.001829296200 -0.000574117700  0.000225726970
  0.007404550700 -0.002330892000  0.000918935070
  0.027323554000 -0.008737311800  0.003442948600
  0.084958323000 -0.028145533000  0.011172307000
  0.211345000000 -0.076860589000  0.030767466000
  0.374093140000 -0.166521200000  0.068840493000
  0.345415730000 -0.228746260000  0.099319320000
  0.095224588000  0.002876886600  0.000066815698
 -0.000336397400  0.583720930000 -0.384601330000
  0.001872824100  0.497025360000 -0.494580910000
 -0.001047884600  0.050512788000  0.341065070000
  0.000566802800  0.008404409300  0.781838040000
 -0.000339879140 -0.003966139800  0.209656550000
  0.000175848840  0.002326375900  0.001912164900
 -0.000077939453 -0.001108713500  0.001206403800
  0.000020305755  0.000285592560 -0.000007389182
   14    2
  1.0853655000e2 13.321737000000
       6287.44780000
       2220.32950000
        849.69969000
        345.33084000
        147.20289000
         63.76503900
         28.19858800
         12.66448100
          5.60143010
          2.48471810
          1.11975370
          0.47633623
          0.20754635
        850.57576e-4
  0.000544372480 -0.000216686560
  0.002255059300 -0.000891167120
  0.011393790000 -0.004583480800
  0.043508631000 -0.017655222000
  0.139780470000 -0.059243036000
  0.325399080000 -0.144847400000
  0.428708020000 -0.204466050000
  0.213096980000  0.020649002000
  0.020920293000  0.457882690000
  0.002590041600  0.493789950000
 -0.000792650220  0.141710380000
  0.000536334530  0.006684329000
 -0.000265843570  0.000754959080
  0.000073674230  0.000127886190
    9    1
  5.297980400000
        345.33084000
        147.20289000
         63.76503900
         28.19858800
         12.66448100
          5.60143010
          2.48471810
          1.11975370
          0.47633623
  0.001332804200
  0.005597356600
  0.027946896000
  0.093664687000
  0.236026180000
  0.370265710000
  0.348315340000
  0.180894760000
  0.039289546000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Te.NR-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]
********************************************************************************
*core[Kr] val[4d,5s,5p]     (911/811/511*)=3s3p3d recommended
*TE-DSP(A1/A0/61)              (911/811/511)
********************************************************************************
    16.0   2
* s-type functions
   11    1
      15536.51150000
       2352.93744000
        535.94093300
         56.45457760
         17.43288630
         12.45503430
          4.60873199
          2.98990244
          1.22011295
       2429.19938e-4
       9599.15793e-5
  0.001092756300
  0.007614601620
  0.024605823500
 -0.121621378000
 -0.192085106000
  0.414689804000
  0.411039813000
 -0.483681017000
 -0.622929318000
  0.790880079000
  0.458149336000
* p-type functions
   10    1
       1384.78559000
        327.05513700
        103.17861900
         15.18855110
          5.89057464
          3.67156050
          1.53148761
       3278.72723e-4
       1447.39702e-4
       6004.86317e-5
 -0.002243432450
 -0.014775464600
 -0.038575201500
  0.125444837000
  0.113752930000
 -0.213180703000
 -0.276544434000
  0.400560211000
  0.530290744000
  0.215419259000
* d-type functions
    7    2
        194.24719900
         56.27954240
         19.73615000
          3.16781025
          1.31323926
       5071.64893e-4
          0.23700000
 -0.020425825000  0.000000000000
 -0.111619615000  0.000000000000
 -0.219291673000  0.000000000000
  0.457008814000  0.000000000000
  0.503636732000  0.000000000000
  0.173151290000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: TE-4P
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  4.3808100000e5  7.5146500000e4  1.9315300000e4  5.8269600000e3  1.9754900000e3  6.8208600000e2  2.5072500000e2  1.1398530000e2 33.757600000000 18.915730000000  4.028620000000
  2.022310000000
  0.024568224375  0.027237210000  0.048038793125  0.080992700000  0.115082637500  0.141265443750  0.271215006250  0.241722893750  0.409980275000  0.450973487500  0.337625350000
  0.101297981250
M2
  0
COREREP
 1.0
PROJOP
    2
   21    4
  2.2618322000e3  3.4551008000e2 71.509010000000 13.293182000000
   15585405.00000000
    2681902.90000000
     700814.66000000
     202109.77000000
      61920.18600000
      19827.36300000
       6826.00020000
       2567.87930000
       1045.29190000
        454.11401000
        204.89658000
         94.60953400
         44.31818000
         20.72377100
          9.84853400
          4.60195270
          2.16589190
          1.00181370
          0.42101475
          0.21399342
          0.09630550
  0.000009544742 -0.000003096020  0.000001373336 -0.000000612382
  0.000058102735 -0.000018838880  0.000008361090 -0.000003720706
  0.000271340300 -0.000088071917  0.000039060499 -0.000017432998
  0.001210668500 -0.000393067940  0.000174505080 -0.000077627958
  0.005074614200 -0.001654821400  0.000734391530 -0.000327834680
  0.019609408000 -0.006458209700  0.002873045000 -0.001278471000
  0.064138323000 -0.021787544000  0.009724029000 -0.004347976900
  0.168736000000 -0.061652864000  0.027845610000 -0.012416328000
  0.325497910000 -0.140752740000  0.065043445000 -0.029359078000
  0.375849600000 -0.224762440000  0.109723980000 -0.049473531000
  0.174497560000 -0.132958070000  0.070807698000 -0.034022725000
  0.011286129000  0.369485870000 -0.250615100000  0.125347780000
  0.002640073500  0.638390930000 -0.649449880000  0.337693860000
 -0.001839080600  0.191160410000 -0.061115977000  0.055059431000
  0.001190749200  0.003458284000  0.928793770000 -0.896405160000
 -0.000802488980  0.001192754100  0.373875970000 -0.422108960000
  0.000509078340 -0.000567849290 -0.001829737400  0.945093850000
 -0.000284870930  0.000086480939  0.009622515200  0.542502200000
  0.000165395460 -0.000037401906 -0.004417279000  0.021006238000
 -0.000088069119  0.000017538513  0.002235816200  0.002382890400
  0.000020938631 -0.000002513500 -0.000545358530 -0.000226838550
   17    3
  3.2346782000e2 62.167274000000  9.904344000000
      19827.36300000
       6826.00020000
       2567.87930000
       1045.29190000
        454.11401000
        204.89658000
         94.60953400
         44.31818000
         20.72377100
          9.84853400
          4.60195270
          2.16589190
          1.00181370
          0.42101475
          0.21399342
          0.09630550
        389.04487e-4
  0.000350448740 -0.000162362530  0.000069948389
  0.001574232200 -0.000730478500  0.000313583750
  0.008104700400 -0.003792164400  0.001636903500
  0.031611991000 -0.015012966000  0.006477994500
  0.102707670000 -0.050503494000  0.022008877000
  0.254347800000 -0.132208890000  0.058096121000
  0.409742180000 -0.229563650000  0.103040510000
  0.305755960000 -0.111417260000  0.041549319000
  0.063996456000  0.376736050000 -0.232385200000
  0.001946061500  0.590397710000 -0.420019840000
 -0.000174109300  0.176553690000  0.141729060000
  0.000086588976  0.003883874300  0.670975350000
 -0.000149188490  0.002751742000  0.353032840000
  0.000088067255 -0.001181995100  0.028895321000
 -0.000057702124  0.000699854430  0.001153581300
  0.000023662237 -0.000283484880  0.000153479210
 -0.000005989570  0.000069808320  0.000129850420
   12    1
 45.024100000000
       2567.87930000
       1045.29190000
        454.11401000
        204.89658000
         94.60953400
         44.31818000
         20.72377100
          9.84853400
          4.60195270
          2.16589190
          1.00181370
          0.42101475
  0.000183450060
  0.000985064450
  0.005512311200
  0.025404937000
  0.090777869000
  0.241929270000
  0.403790900000
  0.348694790000
  0.108556860000
  0.004829961800
  0.001260844700
 -0.000354845860
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Po.NR-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]
********************************************************************************
*core[Xe,4f] val[5d,6s,6p]     (11,1,1/9111/611*/4o1)=3s4p3d2f recommended
*
* - (5o) f orthogonality function is the 4f core orbital
*
*PO-DSP(A3/A2/71/5)            (A111/9111/611/41)
********************************************************************************
    16.0   3
* s-type functions
   13    1
     132306.53200000
      19920.27460000
       4509.65123000
       1266.52454000
        164.58619700
         78.45792810
         28.68999140
         25.68710720
          5.17947774
          4.71021863
          1.18752786
       1979.85265e-4
        796.92117e-4
  0.000156075252
  0.001180740960
  0.005501292570
  0.014286056200
 -0.072865111300
 -0.031402649400
  0.389140619000
 -0.131216156000
 -1.901101150000
  1.432034370000
  0.874385685000
 -0.866353942000
 -0.379092226000
* p-type functions
   12    1
       3919.53797000
        930.58566400
        298.40348900
         48.69214590
         18.70255120
         13.30272540
          6.55220396
          2.36205572
          1.19972876
       2683.41942e-4
       1170.21195e-4
       4982.73986e-5
  0.001219361760
  0.008320440400
  0.022794751400
 -0.078695848500
 -0.072376204800
  0.151698174000
  0.146222656000
 -0.198747238000
 -0.289089719000
  0.455430956000
  0.525942955000
  0.170783458000
* d-type functions
    8    2
        689.35934100
        204.97122100
         76.18297380
         16.80241300
          9.90089128
          1.84913356
          0.65656876
          0.20400000
  0.007843555730  0.000000000000
  0.048584261700  0.000000000000
  0.107555167000  0.000000000000
 -0.132026498000  0.000000000000
 -0.246394189000  0.000000000000
  0.642883286000  0.000000000000
  0.470011627000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
        104.61000000
         34.97000000
         13.85000000
          5.73700000
          2.25500000
  0.073798631000
  0.293207710000
  0.476153830000
  0.362484900000
  0.097956742000
********************************************************************************
* Core AIMP: PO-4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  4.4409300000e6  1.8840300000e5  5.5329900000e4  1.8366500000e4  6.6961700000e3  2.5429200000e3  9.6036300000e2  4.2854100000e2  1.5907400000e2 80.545100000000 16.833000000000
  9.590580000000  3.162900000000  1.611470000000
  0.032497405625  0.030754145000  0.051313013750  0.083412018750  0.122718381250  0.154278831250  0.254381418750  0.368918481250  0.280151468750  0.821160125000  1.096982187500
  0.442203068750  0.412408243750  0.098821187500
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  6.1518269000e3  1.0546398000e3  2.5933377000e2 62.005192000000 11.924199000000
     213900.00000000
      38970.00000000
      10810.00000000
       3683.00000000
       1439.00000000
        621.60000000
        227.10000000
        106.30000000
         41.56000000
         22.62000000
          9.61900000
          5.23000000
          2.20000000
          1.18100000
          0.55660000
  0.006496712900  0.002239352500  0.001045169000  0.000536290610  0.000242269110
  0.035927283000  0.011978865000  0.005847884400  0.002921251600  0.001328420200
  0.127892740000  0.047118653000  0.022383654000  0.011468880000  0.005189839900
  0.309586800000  0.125858930000  0.063273900000  0.031912925000  0.014533666000
  0.416730650000  0.246169550000  0.125707950000  0.065727895000  0.029876136000
  0.229665880000  0.154137730000  0.093534529000  0.048211056000  0.022257550000
  0.024372758000 -0.473157230000 -0.403556280000 -0.229941380000 -0.108011820000
 -0.005832547700 -0.621046270000 -0.705574400000 -0.466889050000 -0.225677410000
  0.003508331100 -0.114958940000  0.500609340000  0.544136010000  0.294196680000
 -0.002752784000  0.029473699000  0.800175920000  1.029829900000  0.601574720000
  0.001754025300 -0.012913692000  0.126664690000 -0.589541340000 -0.488091370000
 -0.001190912600  0.008053080100 -0.020731511000 -0.892626200000 -1.106551300000
  0.000613919590 -0.003866179600  0.007251286800 -0.100214160000  0.446955000000
 -0.000334195370  0.002041564100 -0.003662592600  0.010360033000  0.928740260000
  0.000076018901 -0.000459195200  0.000748772650 -0.002015374200  0.168907500000
   12    4
  1.0546398000e3  2.4047337000e2 53.519915000000  8.800291500000
       6517.00000000
       1690.00000000
        598.60000000
        246.80000000
        111.68000000
         51.37000000
         25.32000000
         11.52900000
          5.70000000
          2.43200000
          1.15490000
          0.49510000
  0.015646319000  0.007927824900  0.004062992600  0.001735063600
  0.093942417000  0.050530434000  0.025432272000  0.011115341000
  0.295996010000  0.168425890000  0.088220857000  0.038106102000
  0.460329790000  0.292650410000  0.153022410000  0.067742344000
  0.271300310000  0.028540071000 -0.004191513200 -0.006141631500
  0.036104667000 -0.566710880000 -0.485075430000 -0.232246180000
 -0.000559853620 -0.472106900000 -0.302645610000 -0.140653600000
  0.000069135818 -0.073675553000  0.603927450000  0.441815150000
 -0.000071176232  0.004193128900  0.581409130000  0.420407760000
  0.000017893507 -0.001858350000  0.073317933000 -0.528524070000
  0.000000204584  0.000903386190 -0.004689810600 -0.634230540000
  0.000000803627 -0.000210516530  0.001178852400 -0.113140840000
   10    2
  2.0572511000e2 37.922763000000
       1143.60000000
        366.10000000
        150.89000000
         69.94000000
         34.77400000
         17.65800000
          4.65100000
          9.05440000
          2.26730000
          0.81600000
  0.013778321000  0.007329395200
  0.085568538000  0.046842189000
  0.260648340000  0.145651830000
  0.421024270000  0.229802160000
  0.323837380000  0.070899809000
  0.095598684000 -0.329617570000
  0.000683999190 -0.261219290000
  0.007315544900 -0.507249870000
 -0.000082773137 -0.038380267000
  0.000018173106 -0.000396110580
    5    1
 16.561371000000
        104.61000000
         34.97000000
         13.85000000
          5.73700000
          2.25500000
  0.073798631000
  0.293207710000
  0.476153830000
  0.362484900000
  0.097956742000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         C.2.1.7. Group VIIA Elements (Halogens)
********************************************************************************

/F.NR-AIMP.Huzinaga.5s6p1d.1s2p1d.ECP.7el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
FLUORINE (5s,6p,1d) -> [1s,2p,1d]
********************************************************************************
*core[He] val[2s,2p]     (41/3111a/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
*
*F-SP(5/51/1)                  (41/3111/1)
********************************************************************************
     7.0   2
* s-type functions
    5    1
        405.47716100
         61.23686380
         13.47117730
          1.09517372
       3400.84753e-4
 -0.013805187800
 -0.089245064800
 -0.247937861000
  0.632895340000
  0.465026336000
* p-type functions
    6    2
         44.13600920
          9.98259711
          2.94708268
       9185.11185e-4
       2685.21355e-4
          0.07400000
  0.016534816500  0.000000000000
  0.103846532000  0.000000000000
  0.316092821000  0.000000000000
  0.487635754000  0.000000000000
  0.336022563000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    1    1
          1.49600000
  1.000000000000
********************************************************************************
* Core AIMP: F-1S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  7
  2.7934740000e5  3.1889749000e4  5.6499776000e3  1.1692730000e3  2.6905132000e2 71.298846000000 22.121507000000
  0.004654725000  0.007196816857  0.015371258571  0.032771900000  0.070383742857  0.108683807143  0.046652035714
M2
  0
COREREP
 1.0
PROJOP
    0
   14    1
 52.765404000000
     210965.41000000
      31872.59200000
       7315.83740000
       2077.21530000
        669.99910000
        232.13639000
         84.99573000
         32.90124100
         13.36331800
          5.58814150
          2.31905870
          0.95009281
          0.38254192
          0.14784040
  0.000025861368
  0.000198149380
  0.001031418900
  0.004341016600
  0.016073698000
  0.053856655000
  0.151324390000
  0.318558040000
  0.404070310000
  0.190635320000
  0.011728993000
  0.002954046500
 -0.000536098280
  0.000278474090
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Cl.NR-AIMP.Huzinaga.7s7p1d.1s2p1d.ECP.7el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
CHLORINE (7s,7p,1d) -> [1s,2p,1d]
********************************************************************************
*core[Ne] val[3s,3p]     (61/4111a/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
*
*CL-SP(7/61/1)                 (61/4111/1)
********************************************************************************
     7.0   2
* s-type functions
    7    1
       1542.37869000
        233.13203900
         52.24707400
          4.89421128
          2.28176649
       4914.79779e-4
       1776.66572e-4
  0.004765903180
  0.032037557700
  0.094965421700
 -0.316640106000
 -0.275631669000
  0.708946764000
  0.482421915000
* p-type functions
    7    2
         92.08839380
         20.98602200
          5.97532026
       6982.69107e-4
       2637.87909e-4
       9973.11305e-5
          0.04900000
 -0.016221373700  0.000000000000
 -0.088632076800  0.000000000000
 -0.184713276000  0.000000000000
  0.429956497000  0.000000000000
  0.501543587000  0.000000000000
  0.198681076000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    1    1
          0.51400000
  1.000000000000
********************************************************************************
* Core AIMP: CL-2P
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  3.1052824000e5  3.8001960000e4  7.7233953000e3  1.8240639000e3  4.3769730000e2  1.1070253000e2 25.121295000000  9.308986300000  4.057681700000
  0.014840872857  0.021500367143  0.040563978571  0.086068214286  0.176760342857  0.219336942857  0.373957442857  0.416858671429  0.078684585714
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  2.0976834000e2 21.214594000000
    1165033.40000000
     163171.39000000
      35736.87500000
       9801.05660000
       3002.24250000
        999.95105000
        356.86262000
        134.62024000
         53.27067100
         21.82484700
          9.12322450
          3.94137930
          1.74271910
          0.70774319
          0.27994321
          0.10563808
  0.000015699898 -0.000004402716
  0.000133450090 -0.000037391250
  0.000724800800 -0.000203512780
  0.003242878700 -0.000910885940
  0.012945699000 -0.003669561900
  0.045386562000 -0.013091032000
  0.134887020000 -0.041107368000
  0.307978010000 -0.106379980000
  0.420780640000 -0.197986080000
  0.210686410000 -0.146099280000
  0.012104860000  0.266862880000
  0.004427362600  0.631252990000
 -0.002107873400  0.270924880000
  0.001047549100  0.007483870500
 -0.000481662330  0.002834543900
  0.000125397880 -0.000380593170
   11    1
 16.143961000000
        999.95105000
        356.86262000
        134.62024000
         53.27067100
         21.82484700
          9.12322450
          3.94137930
          1.74271910
          0.70774319
          0.27994321
          0.10563808
  0.000934548800
  0.003791962900
  0.018770583000
  0.069422520000
  0.200882480000
  0.375434470000
  0.384044230000
  0.144855970000
  0.009780193200
  0.001269038900
  0.000299563470
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Br.NR-AIMP.Huzinaga.9s8p4d.1s1p2d.ECP.7el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
BROMINE (9s,8p,4d) -> [1s,1p,2d]
********************************************************************************
*core[Ar,3d] val[4s,4p]     (711/5111/3o1*)=3s4p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*BR-SP(9/8/31)                 (711/5111/31)
********************************************************************************
     7.0   2
* s-type functions
    9    1
       6861.13690000
       1039.10712000
        235.99403600
         24.51566460
          9.62302432
          5.45923266
          2.22390190
       3765.72603e-4
       1426.95683e-4
 -0.002052446370
 -0.014138980400
 -0.044271211700
  0.189025669000
  0.148426811000
 -0.245314402000
 -0.538741835000
  0.780126750000
  0.422877102000
* p-type functions
    8    1
        558.27093900
        130.71326100
         40.38276510
          5.97295817
          2.70887147
       5646.84006e-4
       2290.50192e-4
       8826.46517e-5
  0.004716767430
  0.029676187700
  0.071889858300
 -0.158180677000
 -0.178893923000
  0.392997441000
  0.529907528000
  0.224389790000
* d-type functions
    4    2
         21.70370000
          5.58021000
          1.56549400
          0.38900000
  0.285053555000  0.000000000000
  0.601685569000  0.000000000000
  0.377082252000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: BR-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  4.0948826000e5  6.6039300000e4  1.7121854000e4  5.3240861000e3  1.6383064000e3  5.1563444000e2  1.5032257000e2 55.211961000000 12.843973000000  5.412155400000  2.108116900000
  0.035170675714  0.040642485714  0.065931001429  0.118102942857  0.215266385714  0.279132028571  0.492149600000  0.711986814286  0.814053228571  1.059353014286  0.168211828571
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  9.8012012000e2  1.3039941000e2 19.742841000000
   17684363.00000000
    3123009.00000000
     785590.88000000
     228915.58000000
      66846.13200000
      20818.51200000
       6848.12990000
       2419.22860000
        924.02118000
        375.11299000
        160.26636000
         69.71872400
         30.91285000
         13.92220700
          6.18180600
          2.75725860
          1.25082340
          0.54006581
          0.23437554
          0.09590407
  0.000002901154 -0.000000910773  0.000000361794
  0.000018554055 -0.000005819215  0.000002314295
  0.000085407061 -0.000026827960  0.000010652152
  0.000395933610 -0.000124227690  0.000049418547
  0.001771649700 -0.000557540080  0.000221440170
  0.007156610300 -0.002259133900  0.000899379660
  0.026424778000 -0.008468785300  0.003371070500
  0.082459185000 -0.027360309000  0.010965197000
  0.207094040000 -0.075267295000  0.030433099000
  0.370033460000 -0.164017120000  0.068407578000
  0.349684680000 -0.229061450000  0.100421490000
  0.102538510000 -0.013340455000  0.007777973100
 -0.000165653490  0.567325830000 -0.373372080000
  0.002182145600  0.515329310000 -0.514302880000
 -0.001269204000  0.058930201000  0.310879860000
  0.000716643030  0.008133064000  0.798613710000
 -0.000433740290 -0.003845449200  0.219472230000
  0.000224702920  0.002252634300  0.002792528400
 -0.000097313436 -0.001067999300  0.001323947100
  0.000025260404  0.000272277760  0.000028912670
   14    2
  1.1710777000e2 14.955439000000
       6848.12990000
       2419.22860000
        924.02118000
        375.11299000
        160.26636000
         69.71872400
         30.91285000
         13.92220700
          6.18180600
          2.75725860
          1.25082340
          0.54006581
          0.23437554
          0.09590407
  0.000521625990 -0.000210395500
  0.002167110800 -0.000868365330
  0.011011478000 -0.004487998100
  0.042202904000 -0.017358050000
  0.135452760000 -0.058144890000
  0.318344580000 -0.143567920000
  0.429466450000 -0.207833850000
  0.222292130000  0.008296720300
  0.023626866000  0.453255530000
  0.002528904900  0.502460740000
 -0.000770104640  0.142523460000
  0.000516035360  0.007221322400
 -0.000259314100  0.000976514860
  0.000068238019  0.000319519580
    9    1
  6.439406000000
        375.11299000
        160.26636000
         69.71872400
         30.91285000
         13.92220700
          6.18180600
          2.75725860
          1.25082340
          0.54006581
  0.001329952200
  0.005537104900
  0.027763449000
  0.093726157000
  0.237739880000
  0.375100070000
  0.349428460000
  0.170189870000
  0.033703729000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/I.NR-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]
********************************************************************************
*core[Kr] val[4d,5s,5p]     (911/7111/511*)=3s4p3d recommended
*I-DSP(A1/A0/61)               (911/7111/511)
********************************************************************************
    17.0   2
* s-type functions
   11    1
      16064.01530000
       2433.29154000
        555.02505300
         59.71919960
         23.58349450
         12.54581420
          5.99900334
          3.29156954
          1.41649390
       2676.73209e-4
       1068.58367e-4
  0.001157871430
  0.008064695830
  0.025998637600
 -0.123249614000
 -0.087855715800
  0.274864705000
  0.343215065000
 -0.299923924000
 -0.718707376000
  0.832386537000
  0.421544447000
* p-type functions
   10    1
       1433.30757000
        338.31604300
        106.86503700
         16.47251990
          7.81883682
          3.74962853
          1.73656821
       3557.30405e-4
       1526.73231e-4
       6357.53193e-5
 -0.002436530160
 -0.016054375200
 -0.041571530100
  0.122550878000
  0.087653271000
 -0.168548939000
 -0.301814890000
  0.462721955000
  0.513838833000
  0.171209607000
* d-type functions
    7    2
        204.92960900
         59.45982920
         20.91757080
          3.39985982
          1.42950655
          0.56031346
          0.26600000
 -0.020800100800  0.000000000000
 -0.114353657000  0.000000000000
 -0.225947314000  0.000000000000
  0.466079413000  0.000000000000
  0.500375939000  0.000000000000
  0.160635535000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: I-4P
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  3.9168529000e5  6.0048301000e4  1.4216555000e4  4.0569793000e3  1.2832952000e3  3.9255799000e2  1.5487053000e2 43.878099000000 22.031815000000  4.592694800000  2.487267500000
  0.972270980000
  0.025651295882  0.031449382353  0.057374144118  0.096810623529  0.128533264706  0.208194988235  0.311423111765  0.279174558824  0.557258882353  0.284310517647  0.135347058824
  0.002119227176
M2
  0
COREREP
 1.0
PROJOP
    2
   12    4
  2.3543699000e3  3.6189702000e2 75.867694000000 14.487663000000
      51990.00000000
       9460.00000000
       2597.00000000
        867.90000000
        324.30000000
         95.90000000
         45.73000000
         19.78000000
         10.22000000
          5.01600000
          2.04000000
          0.89710000
  0.011990188000 -0.003818721100  0.001696314800 -0.000782750770
  0.064429806000 -0.022117349000  0.009929057100 -0.004402682500
  0.218347720000 -0.078570098000  0.035535057000 -0.016337161000
  0.434610740000 -0.206884560000  0.097342921000 -0.043740693000
  0.372621090000 -0.248804710000  0.126148210000 -0.059799336000
  0.061557875000  0.336769650000 -0.235152310000  0.121278420000
 -0.024907164000  0.661298120000 -0.668961720000  0.348736660000
  0.015689030000  0.182887980000 -0.028045315000  0.052511722000
 -0.010861882000 -0.012765318000  0.908174430000 -0.944244710000
  0.004951328800  0.005574671400  0.368933360000 -0.318240110000
 -0.001690013200 -0.001696574200  0.016685534000  1.059570500000
  0.000464967080  0.000375533020 -0.000010398346  0.379423380000
    9    3
  3.3931905000e2 66.243318000000 10.945726000000
       1726.00000000
        440.30000000
        151.40000000
         59.62000000
         23.03000000
         10.25000000
          4.29400000
          1.95000000
          0.81050000
  0.028979376000 -0.013929315000  0.006115374300
  0.163596580000 -0.080127225000  0.035360455000
  0.427124630000 -0.234877110000  0.106092140000
  0.451814510000 -0.221431720000  0.096982416000
  0.113031990000  0.357171600000 -0.231603060000
 -0.009150281300  0.646947460000 -0.453019190000
  0.005066075600  0.153089020000  0.263249210000
 -0.002441319100 -0.004813640700  0.731237910000
  0.000632813700  0.002181153100  0.215962310000
    8    1
 48.570265000000
        257.10000000
         79.46000000
         31.01500000
         13.30800000
          5.92190000
          2.69340000
          1.20330000
          0.49219000
  0.032239031000
  0.169387940000
  0.397470340000
  0.443274740000
  0.173143110000
  0.012419045000
  0.001333065800
 -0.000359429530
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/At.NR-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]
********************************************************************************
*core[Xe,4f] val[5d,6s,6p]     (11,1,1/9111/611*/4o1)=3s4p3d2f recommended
*
* - (5o) f orthogonality function is the 4f core orbital
*
*AT-DSP(A3/A2/71/5)            (A111/9111/611/41)
********************************************************************************
    17.0   3
* s-type functions
   13    1
     142215.04500000
      21286.95710000
       4786.01101000
       1325.09635000
        165.08036000
         84.94155210
         29.73250170
          9.22878469
          5.47668064
          3.83922611
          1.26265682
       2229.08403e-4
       9016.86898e-5
 -0.000156596954
 -0.001195042100
 -0.005657461190
 -0.015204503300
  0.080441088400
  0.023996311400
 -0.284606661000
  0.096803581100
  0.731416829000
 -0.319262601000
 -0.919096480000
  0.893888805000
  0.372197629000
* p-type functions
   12    1
       4039.94873000
        958.23677800
        307.02086900
         49.83673180
         19.63075990
         13.66868360
          7.02629442
          2.60030996
          1.36833434
       2910.37791e-4
       1254.57937e-4
       5368.08202e-5
  0.001311630380
  0.008984132680
  0.024753779600
 -0.086475281900
 -0.066025813000
  0.146399169000
  0.164541465000
 -0.178888248000
 -0.337927844000
  0.505294742000
  0.505530104000
  0.142567612000
* d-type functions
    8    2
        711.38091100
        211.49596700
         78.65466240
         17.22445700
         10.22752690
          1.96851875
       7147.37946e-4
          0.22500000
  0.008058918010  0.000000000000
  0.050124702700  0.000000000000
  0.111489255000  0.000000000000
 -0.141073002000  0.000000000000
 -0.250595947000  0.000000000000
  0.652294572000  0.000000000000
  0.457868783000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
        117.99000000
         39.78900000
         15.90000000
          6.59960000
          2.59320000
  0.062656042000
  0.263998850000
  0.466223930000
  0.390976100000
  0.115811630000
********************************************************************************
* Core AIMP: AT-4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  3.6632000000e6  4.8468000000e5  1.0382700000e5  2.7382000000e4  8.3881000000e3  2.7882000000e3  9.2918000000e2  3.8789000000e2  1.1613300000e2 69.826000000000 16.069000000000
  6.182600000000  2.632900000000  1.161270000000
  0.017305312353  0.023269756471  0.043394871176  0.076874623529  0.123628276471  0.162580870588  0.281486170588  0.357030882353  0.545197282353  0.464624894118  1.251688588235
  0.289294729412  0.347592923529  0.016030834706
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  6.3052664000e3  1.0840202000e3  2.6801126000e2 64.893574000000 12.862089000000
     405800.00000000
      69900.00000000
      18070.00000000
       5738.00000000
       2067.00000000
        806.30000000
        253.00000000
        119.30000000
         47.06000000
         25.99000000
         10.98000000
          6.08100000
          2.68700000
          1.43100000
          0.66210000
  0.003065513300  0.001076455700  0.000507410920  0.000258899040  0.000121246190
  0.019082200000  0.006233235600  0.003016320200  0.001523306200  0.000689364270
  0.078275252000  0.028179781000  0.013462485000  0.006861847800  0.003186555000
  0.232017710000  0.087557731000  0.043102530000  0.021921550000  0.009993216800
  0.427285260000  0.217889100000  0.110294250000  0.056953765000  0.026461268000
  0.346753770000  0.241392500000  0.135792280000  0.071352817000  0.032743275000
  0.052341262000 -0.374112270000 -0.304725670000 -0.174360630000 -0.081630795000
 -0.017752947000 -0.678404800000 -0.762159790000 -0.492638050000 -0.242908950000
  0.011908444000 -0.157086260000  0.273339610000  0.296287610000  0.169045910000
 -0.009426540300  0.037160607000  0.934276790000  1.187288500000  0.680668220000
  0.006158849200 -0.016482393000  0.191233180000 -0.289704170000 -0.216403440000
 -0.004413844300  0.010665421000 -0.031923528000 -1.063642300000 -1.273341700000
  0.002248912900 -0.004996970500  0.011285350000 -0.164907340000  0.112592310000
 -0.001133743400  0.002430454400 -0.005106198500  0.010259642000  1.102072900000
  0.000247014890 -0.000521965070  0.000981840870 -0.002176426600  0.257366300000
   12    4
  1.0441114000e3  2.4883121000e2 56.221790000000  9.619727700000
       8739.00000000
       2249.00000000
        785.80000000
        318.50000000
        141.38000000
         61.97000000
         30.05000000
         13.48200000
          6.60100000
          2.80500000
          1.35270000
          0.57840000
  0.009990864900  0.005016051400  0.002570133900  0.001124921400
  0.063915946000  0.034203791000  0.017291642000  0.007631965200
  0.228941410000  0.127157490000  0.066228951000  0.029205379000
  0.438096330000  0.275436710000  0.145190280000  0.064698153000
  0.358723580000  0.151965030000  0.072321735000  0.030719534000
  0.076338799000 -0.461672850000 -0.389307490000 -0.191135680000
 -0.004694704700 -0.577244670000 -0.449229110000 -0.218419220000
  0.002548793900 -0.119709260000  0.472557670000  0.348832810000
 -0.001445515100  0.006500749000  0.689778170000  0.535532350000
  0.000690649600 -0.003332055300  0.110916450000 -0.415680500000
 -0.000330474640  0.001590278800 -0.007511968900 -0.710100390000
  0.000087678554 -0.000373138500  0.001837730100 -0.148770200000
   10    2
  2.1348794000e2 40.264348000000
        756.60000000
        235.40000000
         92.74000000
         40.75000000
         18.01400000
          8.29500000
          3.75400000
          1.73520000
          0.77460000
          0.31200000
  0.033602130000  0.018332437000
  0.187915810000  0.104027150000
  0.441525150000  0.250559290000
  0.424193420000  0.142328820000
  0.117887900000 -0.391809470000
  0.000444414520 -0.569990280000
  0.002562908400 -0.180290840000
 -0.001223769700 -0.004607906800
  0.000514941570 -0.001956114900
 -0.000145277680  0.000558474410
    5    1
 18.360145000000
        117.99000000
         39.78900000
         15.90000000
          6.59960000
          2.59320000
  0.062656042000
  0.263998850000
  0.466223930000
  0.390976100000
  0.115811630000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         C.2.1.8. Group 0 Elements (Noble Gases)
********************************************************************************

/Ne.NR-AIMP.Huzinaga.5s5p1d.1s1p1d.ECP.8el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
NEON (5s,5p,1d) -> [1s,1p,1d]
********************************************************************************
*core[He] val[2s,2p]     (41/311/1*)=2s3p1d recommended
*NE-SP(5/5/1)                  (41/311/1)
********************************************************************************
     8.0   2
* s-type functions
    5    1
        508.43671300
         76.80011330
         16.95637100
          1.38121110
          0.42583795
 -0.013807481200
 -0.089784243000
 -0.250408796000
  0.634211215000
  0.464401422000
* p-type functions
    5    1
         55.25648900
         12.55346760
          3.71465605
          1.15317556
       3324.82822e-4
  0.016902619600
  0.106449338000
  0.319878145000
  0.485779087000
  0.334982191000
* d-type functions
    1    1
          1.88800000
  1.000000000000
********************************************************************************
* Core AIMP: NE-1S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  7
  2.9220125000e5  3.4636084000e4  6.2987650000e3  1.3287256000e3  3.1199355000e2 84.793581000000 26.839989000000
  0.004398482375  0.006620867125  0.014029660000  0.029755450000  0.062983793750  0.093730380000  0.038481366250
M2
  0
COREREP
 1.0
PROJOP
    0
   14    1
 65.544822000000
     224935.42000000
      34295.05000000
       8406.80160000
       2499.47750000
        813.77043000
        278.11584000
         99.57788200
         37.85067400
         15.16183100
          6.20584730
          2.54336140
          1.03771880
          0.42170694
          0.16646318
  0.000031385902
  0.000229029430
  0.001076798100
  0.004399796900
  0.016512480000
  0.057116300000
  0.163672530000
  0.340532180000
  0.403639130000
  0.159607050000
  0.004439991200
  0.003690603700
 -0.000927419140
  0.000363348590
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ar.NR-AIMP.Huzinaga.7s6p1d.1s1p1d.ECP.8el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
ARGON (7s,6p,1d) -> [1s,1p,1d]
********************************************************************************
*core[Ne] val[3s,3p]     (61/411/1*)=2s3p1d recommended
*AR-SP(7/6/1)                  (61/411/1)
********************************************************************************
     8.0   2
* s-type functions
    7    1
       1732.72056000
        261.83186500
         58.75194880
          5.70198599
          2.82724075
       5714.34778e-4
       2074.08071e-4
  0.004988661940
  0.033616229700
  0.099822122600
 -0.313480691000
 -0.286784740000
  0.731710124000
  0.455911095000
* p-type functions
    6    1
        107.45458500
         24.59070860
          7.08018889
       8536.02209e-4
       3232.18129e-4
       1213.14596e-4
 -0.016239442400
 -0.090018895300
 -0.190833020000
  0.434311545000
  0.498882043000
  0.198540196000
* d-type functions
    1    1
          0.61700000
  1.000000000000
********************************************************************************
* Core AIMP: AR-2P
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
  9
  3.3736163000e5  4.5322027000e4  9.1245281000e3  2.0288217000e3  4.9209122000e2  1.3195021000e2 30.190174000000 10.475381000000  4.163054100000
  0.013003328750  0.017749956250  0.036414232500  0.077714298750  0.150838087500  0.185572137500  0.328929087500  0.394266837500  0.045512035000
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  2.3722006000e2 24.643858000000
    1192038.60000000
     176715.15000000
      40309.61900000
      11089.57700000
       3461.23220000
       1163.64130000
        409.93944000
        153.08437000
         60.63751100
         25.04003900
         10.55074600
          4.57172650
          2.01561060
          0.83635000
          0.33252985
          0.12551473
  0.000017305586 -0.000004914785
  0.000134353860 -0.000038137958
  0.000714402680 -0.000203112050
  0.003186319100 -0.000906873290
  0.012289484000 -0.003526218500
  0.043710502000 -0.012766044000
  0.133737610000 -0.041205929000
  0.306772570000 -0.107326010000
  0.419032580000 -0.198726060000
  0.214915070000 -0.151473200000
  0.014438353000  0.259022500000
  0.003955977000  0.639833860000
 -0.001900079300  0.272083570000
  0.000949754940  0.006870357100
 -0.000440768270  0.003527818900
  0.000111848780 -0.000469243840
   11    1
 19.142350000000
       1163.64130000
        409.93944000
        153.08437000
         60.63751100
         25.04003900
         10.55074600
          4.57172650
          2.01561060
          0.83635000
          0.33252985
          0.12551473
  0.000902219310
  0.003813248800
  0.018982288000
  0.069788676000
  0.200278290000
  0.377018300000
  0.386376850000
  0.139465180000
  0.007800546900
  0.000751046840
 -0.000130005420
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Kr.NR-AIMP.Huzinaga.9s8p4d.1s1p2d.ECP.8el.
S. Huzinaga, L. Seijo, Z. Barandiaran, M. Klobukowski. J. Chem. Phys. 86 (1987) 2132-2145. doi:10.1063/1.452111
KRYPTON (9s,8p,4d) -> [1s,1p,2d]
********************************************************************************
*core[Ar,3d] val[4s,4p]     (711/611/3o1*)=3s3p2d recommended
*
* - (3o) d orthogonality function by maximum overlap to the 3d core orbital
*
*KR-SP(9/8/31)                 (711/611/31)
********************************************************************************
     8.0   2
* s-type functions
    9    1
       7274.64598000
       1101.31862000
        250.14038600
         26.11503800
         10.54797900
          5.78263305
          2.45925351
       4306.58977e-4
       1642.15022e-4
 -0.002156409010
 -0.014874498400
 -0.046668412800
  0.198817700000
  0.145764367000
 -0.242918566000
 -0.565353682000
  0.793370938000
  0.419943052000
* p-type functions
    8    1
        594.54255800
        139.37943900
         43.16751260
          6.45078299
          2.99575924
          0.64875622
       2649.00297e-4
       1023.81355e-4
  0.004976840370
  0.031371215400
  0.076213953000
 -0.167167344000
 -0.187491827000
  0.406292346000
  0.527537439000
  0.215992467000
* d-type functions
    4    2
         24.15140000
          6.27588000
          1.79382000
          0.44300000
  0.279100672000  0.000000000000
  0.602280717000  0.000000000000
  0.376477941000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: KR-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  4.0026405000e5  6.2772198000e4  1.5453661000e4  4.7807699000e3  1.5579845000e3  5.0126828000e2  1.5023603000e2 57.491638000000 13.652700000000  5.859954800000  2.335747500000
  0.032359150000  0.038771338750  0.065704391250  0.109140245000  0.189873000000  0.246573375000  0.440693937500  0.601156662500  0.728141300000  0.914531650000  0.133054950000
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  1.0403310000e3  1.3980634000e2 21.698784000000
   25938178.00000000
    4140857.50000000
     906263.15000000
     248934.37000000
      73106.49000000
      22741.08100000
       7471.16800000
       2628.47080000
       1003.01540000
        407.75063000
        174.56502000
         76.16804300
         33.87991000
         15.32144100
          6.89959400
          3.09894190
          1.39907680
          0.61407830
          0.25436037
          0.10035599
  0.000001979790 -0.000000623147  0.000000249933
  0.000015256004 -0.000004798623  0.000001926309
  0.000083905635 -0.000026420416  0.000010593714
  0.000384040440 -0.000120839850  0.000048523629
  0.001698222100 -0.000535770580  0.000214858790
  0.006884695600 -0.002179039000  0.000875681940
  0.025556822000 -0.008206894300  0.003298420900
  0.080313592000 -0.026689425000  0.010795827000
  0.202228640000 -0.073444155000  0.029978586000
  0.364956910000 -0.160965170000  0.067706802000
  0.354520490000 -0.229341290000  0.101420400000
  0.110438810000 -0.029788896000  0.015781964000
  0.000166541410  0.548389110000 -0.360204950000
  0.002473855100  0.533133500000 -0.532580030000
 -0.001474561200  0.069458510000  0.264267180000
  0.000830751280  0.008369275700  0.816846670000
 -0.000494936030 -0.003702387400  0.243666900000
  0.000248352700  0.002077686000  0.000161555930
 -0.000099209494 -0.000932878830  0.002978135600
  0.000025919063  0.000236911380 -0.000373065760
   14    2
  1.2601959000e2 16.662814000000
       7471.16800000
       2628.47080000
       1003.01540000
        407.75063000
        174.56502000
         76.16804300
         33.87991000
         15.32144100
          6.89959400
          3.09894190
          1.39907680
          0.61407830
          0.25436037
          0.10035599
  0.000498116200 -0.000203305840
  0.002091018100 -0.000850639670
  0.010610547000 -0.004375534200
  0.040694285000 -0.016976777000
  0.131069780000 -0.056906570000
  0.311028340000 -0.142216800000
  0.429297300000 -0.210201360000
  0.232067200000 -0.007708930700
  0.026977062000  0.439027420000
  0.002756889800  0.517698370000
 -0.000815127030  0.150404000000
  0.000523655410  0.005804987000
 -0.000234000770  0.000957969270
  0.000068211119 -0.000134404020
    9    1
  7.650314200000
        407.75063000
        174.56502000
         76.16804300
         33.87991000
         15.32144100
          6.89959400
          3.09894190
          1.39907680
          0.61407830
  0.001304636700
  0.005482327100
  0.027277211000
  0.093476395000
  0.235678490000
  0.373470700000
  0.355461580000
  0.164986070000
  0.029876597000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Xe.NR-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]
********************************************************************************
*core[Kr] val[4d,5s,5p]     (911/811/511*)=3s3p3d recommended
*XE-DSP(A1/A0/61)              (911/811/511)
********************************************************************************
    18.0   2
* s-type functions
   11    1
      16703.03790000
       2529.92830000
        576.66017600
         62.02981910
         20.03801660
         14.94196440
          5.49729862
          3.83024553
          1.50002124
       3090.95491e-4
       1243.82325e-4
 -0.001222185300
 -0.008518682880
 -0.027492832000
  0.132116759000
  0.256837962000
 -0.458502242000
 -0.577851057000
  0.546707978000
  0.748381228000
 -0.831528617000
 -0.446432848000
* p-type functions
   10    1
       1505.71547000
        355.60012000
        112.36067100
         16.68920480
          6.21615479
          4.31274325
          1.80082399
       4451.37692e-4
       2009.32139e-4
       8215.56928e-5
 -0.002560050210
 -0.016929645000
 -0.044388023500
  0.146599859000
  0.166999227000
 -0.279555350000
 -0.319105639000
  0.392590146000
  0.543084825000
  0.226926040000
* d-type functions
    7    2
        216.18134300
         62.79487220
         22.14891850
          3.63286656
          1.54360711
       6110.99606e-4
          0.29700000
 -0.021070909400  0.000000000000
 -0.116654952000  0.000000000000
 -0.232115244000  0.000000000000
  0.476116273000  0.000000000000
  0.496792579000  0.000000000000
  0.148509690000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: XE-4P
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 12
  4.3714800000e5  7.5147500000e4  1.9268400000e4  5.7741100000e3  1.9461300000e3  6.6077400000e2  2.4592200000e2  1.1043410000e2 34.131000000000 19.973110000000  4.458340000000
  2.287360000000
  0.022837787222  0.025300033333  0.045005301111  0.075945650000  0.105849277778  0.134146622222  0.262638038889  0.189478183333  0.426922966667  0.323352055556  0.312158783333
  0.076365300000
M2
  0
COREREP
 1.0
PROJOP
    2
   21    4
  2.4487932000e3  3.7867911000e2 80.350319000000 15.711694000000
   17406192.00000000
    3011538.70000000
     792091.87000000
     230587.85000000
      71055.06400000
      22818.10100000
       7854.51290000
       2951.22820000
       1201.32250000
        522.83644000
        237.19332000
        110.24499000
         52.02221800
         24.52404800
         11.72047700
          5.54645590
          2.63409040
          1.23524250
          0.52594356
          0.26702167
          0.12420075
  0.000009115260 -0.000002964551  0.000001325502 -0.000000604943
  0.000055106406 -0.000017913028  0.000008013354 -0.000003649943
  0.000254013980 -0.000082669036  0.000036956701 -0.000016881626
  0.001121900600 -0.000365141790  0.000163393610 -0.000074396331
  0.004682279500 -0.001530550600  0.000684638180 -0.000312800710
  0.018105183000 -0.005972192600  0.002677607400 -0.001219572900
  0.059608746000 -0.020247907000  0.009106019300 -0.004166902500
  0.158650290000 -0.057708962000  0.026248038000 -0.011979347000
  0.312662790000 -0.133391710000  0.062004225000 -0.028632507000
  0.378718700000 -0.219866600000  0.107680310000 -0.049690347000
  0.194841510000 -0.155223100000  0.082721260000 -0.040341497000
  0.017587679000  0.308485710000 -0.205758650000  0.105277460000
  0.002397416300  0.649293860000 -0.638652150000  0.338254700000
 -0.001691717300  0.241221800000 -0.187421590000  0.133980160000
  0.001128413100  0.004975922600  0.896498260000 -0.852004570000
 -0.000785905910  0.003274103900  0.463208880000 -0.589644090000
  0.000504660550 -0.001940696200  0.003068332100  0.912854530000
 -0.000284099620  0.000855123670  0.012750934000  0.626696240000
  0.000163611360 -0.000483626840 -0.006279973500  0.027778561000
 -0.000087360598  0.000259531300  0.003210938000  0.004032029800
  0.000021474066 -0.000061703261 -0.000825046210 -0.000430194600
   17    3
  3.5556354000e2 70.442254000000 12.015825000000
      22818.10100000
       7854.51290000
       2951.22820000
       1201.32250000
        522.83644000
        237.19332000
        110.24499000
         52.02221800
         24.52404800
         11.72047700
          5.54645590
          2.63409040
          1.23524250
          0.52594356
          0.26702167
          0.12420075
        498.56038e-4
  0.000314384670 -0.000147010690  0.000065329085
  0.001417646900 -0.000664699880  0.000293605660
  0.007329675700 -0.003459843100  0.001540423400
  0.028760060000 -0.013783551000  0.006121242700
  0.094055593000 -0.046556998000  0.020920498000
  0.236595220000 -0.123692460000  0.055923566000
  0.398728010000 -0.224676750000  0.104088250000
  0.327412980000 -0.142465460000  0.058913719000
  0.082217172000  0.322207970000 -0.206023970000
  0.002388972900  0.608002930000 -0.447564420000
  0.000360471140  0.216691480000  0.068129824000
 -0.000255326690  0.007138885400  0.682196300000
  0.000037764385  0.003432301300  0.387559110000
 -0.000031342187 -0.001618467800  0.032688611000
  0.000017905528  0.000995591870  0.001007620100
 -0.000006714891 -0.000403960860 -0.000149395570
  0.000001606656  0.000098148923  0.000111195640
   12    1
 52.236852000000
       2951.22820000
       1201.32250000
        522.83644000
        237.19332000
        110.24499000
         52.02221800
         24.52404800
         11.72047700
          5.54645590
          2.63409040
          1.23524250
          0.52594356
  0.000164288980
  0.000886026360
  0.004947580000
  0.022828500000
  0.082517034000
  0.225477680000
  0.394125620000
  0.364448620000
  0.124663480000
  0.007570873200
  0.001114970900
 -0.000333469640
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Rn.NR-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]
********************************************************************************
*core[Xe,4f] val[5d,6s,6p]     (11,1,1/9111/611*/4o1)=3s4p3d2f recommended
*
* - (5o) f orthogonality function is the 4f core orbital
*
*RN-DSP(A3/A2/71/5)            (A111/9111/611/41)
********************************************************************************
    18.0   3
* s-type functions
   13    1
     142445.40400000
      21269.35520000
       4791.19139000
       1351.19881000
        166.42577100
         97.86455520
         29.28843140
         14.38521510
          5.82640362
          4.24565637
          1.34642133
       2512.91657e-4
       1031.52116e-4
  0.000168556553
  0.001292569660
  0.006034357810
  0.015769158500
 -0.087284366800
 -0.016589062700
  0.316602406000
 -0.064510856400
 -0.883125123000
  0.376917402000
  0.978186849000
 -0.900036979000
 -0.386814858000
* p-type functions
   12    1
       4167.85607000
        987.46554200
        315.91084500
         50.98981530
         18.85634370
         13.75210140
          6.54116596
          3.05237733
          1.49254719
       3305.10433e-4
       1458.86705e-4
       6283.63963e-5
  0.001380853630
  0.009502242380
  0.026370982900
 -0.093318306100
 -0.088831663600
  0.198094672000
  0.177641293000
 -0.187387161000
 -0.385380716000
  0.503284433000
  0.506952727000
  0.150324718000
* d-type functions
    8    2
        733.68449600
        218.23321800
         81.20312690
         17.63663390
         10.55319670
          2.09064665
       7737.13795e-4
          0.24700000
  0.008251926470  0.000000000000
  0.051505668100  0.000000000000
  0.115209871000  0.000000000000
 -0.150614278000  0.000000000000
 -0.253406557000  0.000000000000
  0.660936651000  0.000000000000
  0.447195031000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
        104.31000000
         34.97000000
         13.95000000
          5.89700000
          2.40500000
  0.085072961000
  0.319646390000
  0.481357170000
  0.330514180000
  0.078988643000
********************************************************************************
* Core AIMP: RN-4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  4.6871700000e6  2.0005800000e5  5.9095000000e4  1.9690900000e4  7.1734600000e3  2.7223700000e3  1.0292320000e3  4.5875300000e2  1.7347900000e2 86.224800000000 17.894400000000
 10.350710000000  3.478670000000  1.830350000000
  0.028897613889  0.027161406667  0.045178930000  0.073516588889  0.109023538889  0.137121088889  0.223143038889  0.330240944444  0.239428983333  0.743956000000  1.008319222222
  0.355794416667  0.372652955556  0.083343061111
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  6.4606257000e3  1.1138262000e3  2.7684374000e2 67.841498000000 13.811640000000
     215900.00000000
      39470.00000000
      10910.00000000
       3683.00000000
       1429.00000000
        621.60000000
        228.10000000
        107.30000000
         42.46000000
         22.82000000
          9.79900000
          5.31000000
          2.23000000
          1.18100000
          0.53660000
  0.006789361300  0.002354744000  0.001099080400  0.000570163130  0.000261245790
  0.037450226000  0.012459389000  0.006111490800  0.003062473500  0.001442324200
  0.134055390000  0.049750085000  0.023671269000  0.012245822000  0.005640092900
  0.324146750000  0.132869700000  0.067189731000  0.034036854000  0.016030326000
  0.417574090000  0.255165430000  0.130958680000  0.069292047000  0.032027423000
  0.209437880000  0.129964510000  0.081137480000  0.041486910000  0.020216321000
  0.020881996000 -0.512268010000 -0.448717220000 -0.258340290000 -0.125905060000
 -0.005508093400 -0.588865270000 -0.674297980000 -0.456532810000 -0.225208930000
  0.003380765300 -0.098959027000  0.587181950000  0.652737040000  0.359183870000
 -0.002656763400  0.024891363000  0.747043710000  0.970379730000  0.600058370000
  0.001721659500 -0.011082157000  0.104939980000 -0.719310300000 -0.651963650000
 -0.001152157300  0.006836462000 -0.016645783000 -0.811525540000 -1.061785200000
  0.000577743470 -0.003211762500  0.005479133600 -0.077916442000  0.679162480000
 -0.000304156850  0.001638528700 -0.002743754600  0.007692804200  0.837056100000
  0.000067241592 -0.000357261710  0.000559552410 -0.001225547700  0.090251219000
   12    4
  1.0733539000e3  2.5734311000e2 58.982365000000 10.450423000000
       6507.00000000
       1690.00000000
        599.60000000
        246.80000000
        110.68000000
         51.37000000
         25.32000000
         11.62900000
          5.81000000
          2.51200000
          1.20490000
          0.51910000
  0.016995374000  0.008657577000  0.004479493600  0.001967134300
  0.100780760000  0.054463339000  0.027617154000  0.012512358000
  0.310536040000  0.178391330000  0.094449497000  0.042038253000
  0.466158560000  0.296834660000  0.156132300000  0.071808716000
  0.251770880000 -0.010173017000 -0.030242325000 -0.019936039000
  0.025634475000 -0.598660130000 -0.522671320000 -0.258166140000
  0.001194443600 -0.432717580000 -0.241835300000 -0.114038790000
 -0.000939730090 -0.059015446000  0.657242400000  0.512778570000
  0.000501114660  0.003275100700  0.529334460000  0.374298260000
 -0.000254996390 -0.001325476400  0.059609952000 -0.622506810000
  0.000131598120  0.000667671250 -0.003854388100 -0.583190600000
 -0.000033947586 -0.000151767020  0.000896053980 -0.076024565000
   10    2
  2.2140269000e2 42.662628000000
       1144.60000000
        366.10000000
        150.89000000
         70.04000000
         34.87400000
         17.64800000
          4.66100000
          9.07440000
          2.13130000
          2.07600000
  0.015321500000  0.008246668700
  0.093810092000  0.052090720000
  0.277504850000  0.157074700000
  0.427471190000  0.234091640000
  0.306000080000  0.041544938000
  0.081974275000 -0.369770990000
  0.000899307920 -0.225054100000
  0.004722394300 -0.501331510000
 -0.003803386600 -0.077176941000
  0.003578807700  0.051301958000
    5    1
 20.215261000000
        104.31000000
         34.97000000
         13.95000000
          5.89700000
          2.40500000
  0.085072961000
  0.319646390000
  0.481357170000
  0.330514180000
  0.078988643000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*    C.2.2. Transition Metal Elements
********************************************************************************

********************************************************************************
*         C.2.2.1. 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.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.9el.
L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 91 (1989) 7011-7017. doi:10.1063/1.457317
SCANDIUM (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*SC2D-PDS(9/51/51)             (711/411/3111)
********************************************************************************
     9.0   2
* s-type functions
    9    1
       2402.93145000
        361.56917300
         81.21807180
          7.74915261
          3.09232354
          1.31836138
       4933.80481e-4
       6922.59552e-5
       2723.29463e-5
 -0.001338961220
 -0.009143857840
 -0.027666010500
  0.114662195000
  0.092691363500
 -0.190478902000
 -0.378001712000
  0.711080414000
  0.437609014000
* p-type functions
    6    2
        165.63436500
         38.20545450
         11.23732730
          1.29461665
       4338.31374e-4
          0.06700000
 -0.017377946300  0.000000000000
 -0.101123163000  0.000000000000
 -0.230086213000  0.000000000000
  0.610783250000  0.000000000000
  0.480951576000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         19.21738150
          5.12337245
          1.66206296
       5441.75628e-4
       1632.01082e-4
          0.05880000
  0.027113457500  0.000000000000
  0.137930453000  0.000000000000
  0.347528405000  0.000000000000
  0.486133829000  0.000000000000
  0.344128126000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: SC2D-3S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.7710000000e5  3.3560000000e4  6.6990000000e3  1.6710000000e3  4.9000000000e2  1.5320000000e2 42.710000000000 16.214000000000  3.486000000000  1.339300000000
  0.016162887000  0.023459163778  0.045471238778  0.084743550000  0.137513611111  0.153045611111  0.281424870000  0.380428584444  0.116799496667  0.094284321000
M2
  0
COREREP
 1.0
PROJOP
    1
   20    3
  3.3179912000e2 38.160594000000  5.134000200000
    1854428.90000000
     304224.17000000
      75116.54500000
      20462.18100000
       6139.85730000
       1980.58560000
        699.96491000
        267.54870000
        108.19191000
         45.82152100
         19.63941600
          8.54233070
          3.79420360
          1.62124550
          0.70249885
          0.30533979
          0.11228376
        581.73514e-4
        261.12045e-4
         67.95418e-4
  0.000014266367 -0.000004179684  0.000001472916
  0.000093018897 -0.000027268730  0.000009597335
  0.000477252590 -0.000139882060  0.000049321587
  0.002232329200 -0.000655885930  0.000230839790
  0.009323184800 -0.002751842200  0.000971181620
  0.034257442000 -0.010284514000  0.003627116100
  0.103522790000 -0.032395461000  0.011511204000
  0.247593240000 -0.085964035000  0.030774579000
  0.398157390000 -0.174704580000  0.064628920000
  0.298618540000 -0.200644490000  0.077392244000
  0.055457724000  0.085492321000 -0.034419521000
  0.001038663600  0.603972090000 -0.346888720000
  0.000144435350  0.433788710000 -0.421291050000
  0.000066330128  0.031772273000  0.336778920000
 -0.000146629060  0.006800882600  0.758482920000
  0.000073524575 -0.003060656600  0.209641630000
 -0.000054553916  0.002406372800 -0.002375798500
  0.000037961590 -0.001684641000  0.002517137900
 -0.000012407174  0.000553881640 -0.000673196370
  0.000001882629 -0.000084435882  0.000087659624
   12    1
 31.335764000000
       1980.58560000
        699.96491000
        267.54870000
        108.19191000
         45.82152100
         19.63941600
          8.54233070
          3.79420360
          1.62124550
          0.70249885
          0.30533979
          0.11228376
  0.000660586760
  0.002707924700
  0.013439662000
  0.049797773000
  0.152162180000
  0.332016050000
  0.420306450000
  0.206596450000
  0.019665935000
  0.000910807860
 -0.000225680240
  0.000073197526
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ti.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.10el.
L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 91 (1989) 7011-7017. doi:10.1063/1.457317
TITANIUM (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*TI3F-PDS(9/51/51)             (711/411/3111)
********************************************************************************
    10.0   2
* s-type functions
    9    1
       2609.46481000
        395.02934800
         89.27975530
          8.65483141
          3.49899205
          1.48184165
       5566.95323e-4
       7719.66475e-5
       2992.25999e-5
 -0.001358979830
 -0.009208367950
 -0.027765387500
  0.114939039000
  0.089912645600
 -0.190894260000
 -0.364562377000
  0.688883994000
  0.456362438000
* p-type functions
    6    2
        186.36186700
         43.05953560
         12.73653320
          1.48722405
       4978.45405e-4
          0.07300000
 -0.017429463800  0.000000000000
 -0.102396895000  0.000000000000
 -0.234987099000  0.000000000000
  0.613866841000  0.000000000000
  0.478183691000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         23.29775610
          6.29765473
          2.07079207
       6900.52155e-4
       2108.53107e-4
          0.07200000
  0.026859682300  0.000000000000
  0.138830832000  0.000000000000
  0.353135703000  0.000000000000
  0.486416371000  0.000000000000
  0.328922756000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: TI3F-3S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.6700000000e5  3.1450000000e4  6.2220000000e3  1.5480000000e3  4.5510000000e2  1.4010000000e2 41.200000000000 16.588000000000  3.398000000000  1.424400000000
  0.015726575800  0.023226949100  0.045123595500  0.084093481000  0.130730628000  0.139174811000  0.278296356000  0.303884121000  0.109922292000  0.069821190600
M2
  0
COREREP
 1.0
PROJOP
    1
   20    3
  3.6654506000e2 42.845432000000  5.746362400000
    2468951.30000000
     352248.75000000
      80145.87500000
      22043.93800000
       6710.59400000
       2218.09280000
        789.36726000
        301.33246000
        121.68970000
         51.40676000
         22.00972200
          9.66189690
          4.35276000
          1.87726390
          0.80258554
          0.33747918
          0.12640624
        616.25258e-4
        326.87891e-4
        157.61921e-4
  0.000011767650 -0.000003476778  0.000001243065
  0.000095153442 -0.000028127315  0.000010050541
  0.000499068560 -0.000147519630  0.000052761039
  0.002268505400 -0.000672147260  0.000240182890
  0.009183468500 -0.002733725600  0.000978636880
  0.032952385000 -0.009972489900  0.003571245600
  0.100628130000 -0.031715144000  0.011428289000
  0.242983390000 -0.084807868000  0.030842875000
  0.396845030000 -0.174436840000  0.065396007000
  0.305548260000 -0.205072980000  0.080674030000
  0.058483311000  0.077687089000 -0.032511198000
  0.001091505700  0.595354980000 -0.346057510000
  0.000096770945  0.441900850000 -0.432204880000
  0.000110944240  0.040167873000  0.326751500000
 -0.000174356760  0.004715624000  0.775144870000
  0.000092688261 -0.001832796700  0.208148720000
 -0.000074822566  0.001739806500 -0.007029731200
  0.000066494940 -0.001570409000  0.006061675200
 -0.000036654565  0.000873686610 -0.002860153900
  0.000008903729 -0.000213529950  0.000629355310
   12    1
 35.581874000000
       2218.09280000
        789.36726000
        301.33246000
        121.68970000
         51.40676000
         22.00972200
          9.66189690
          4.35276000
          1.87726390
          0.80258554
          0.33747918
          0.12640624
  0.000646965990
  0.002619774400
  0.013182032000
  0.049062112000
  0.152159200000
  0.331871830000
  0.416118380000
  0.208308600000
  0.022009026000
  0.000652513620
 -0.000006914189
  0.000030125554
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/V.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.11el.
L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 91 (1989) 7011-7017. doi:10.1063/1.457317
VANADIUM (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*V4F-PDS(9/51/51)              (711/411/3111)
********************************************************************************
    11.0   2
* s-type functions
    9    1
       2812.47661000
        427.56866000
         97.36566170
          9.63161741
          3.89628604
          1.70263911
       6339.58058e-4
       8322.69418e-5
       3178.16679e-5
 -0.001377156300
 -0.009259801160
 -0.027672337800
  0.114188930000
  0.090200336200
 -0.184462088000
 -0.357256733000
  0.687224537000
  0.451917012000
* p-type functions
    6    2
        208.16556000
         48.18593170
         14.32619130
          1.68932943
       5643.40844e-4
          0.08000000
 -0.017448748400  0.000000000000
 -0.103323360000  0.000000000000
 -0.238887455000  0.000000000000
  0.616216417000  0.000000000000
  0.476204948000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         27.10478110
          7.39207748
          2.44834493
          0.82129798
       2517.05762e-4
          0.08200000
  0.027062945900  0.000000000000
  0.141289481000  0.000000000000
  0.358208393000  0.000000000000
  0.484743690000  0.000000000000
  0.320953911000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: V4F-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
  0.015054287455  0.022160489182  0.042743483273  0.078537792364  0.119274906364  0.126248155455  0.256862626364  0.268235110000  0.101464937273  0.060327303273
M2
  0
COREREP
 1.0
PROJOP
    1
   20    3
  4.0300512000e2 47.748822000000  6.365915400000
    2492774.50000000
     378528.55000000
      86866.37300000
      24106.25300000
       7479.34810000
       2494.04300000
        891.25800000
        341.25937000
        138.18449000
         58.56196400
         25.00920300
         10.94955400
          4.89864850
          2.13619690
          0.91813632
          0.38788258
          0.14510473
        699.85714e-4
        390.38828e-4
        205.67682e-4
  0.000012595756 -0.000003749223  0.000001356105
  0.000095578727 -0.000028470003  0.000010288701
  0.000504601780 -0.000150257910  0.000054372765
  0.002234240400 -0.000667132870  0.000241080440
  0.008860012600 -0.002656465800  0.000962251930
  0.031729569000 -0.009672197900  0.003502546100
  0.096881404000 -0.030705015000  0.011195679000
  0.235417350000 -0.082438989000  0.030307817000
  0.391480270000 -0.171221370000  0.064938225000
  0.315702620000 -0.209742530000  0.083270362000
  0.066889393000  0.058940155000 -0.024275130000
  0.000111664450  0.594817230000 -0.350000720000
  0.000846134090  0.454888120000 -0.443089420000
 -0.000339415140  0.040107092000  0.320710230000
  0.000095213983  0.006581655300  0.770124970000
 -0.000066265004 -0.002813229500  0.223572030000
  0.000044734594  0.002549342700 -0.008419603200
 -0.000042133688 -0.002504234400  0.008883503600
  0.000025765585  0.001562600900 -0.005050021200
 -0.000006608277 -0.000405936680  0.001238755300
   12    1
 40.044388000000
       2494.04300000
        891.25800000
        341.25937000
        138.18449000
         58.56196400
         25.00920300
         10.94955400
          4.89864850
          2.13619690
          0.91813632
          0.38788258
          0.14510473
  0.000626848440
  0.002495526800
  0.012672287000
  0.046920540000
  0.147830940000
  0.329528240000
  0.420789830000
  0.212049640000
  0.021109868000
  0.001595410300
 -0.000311402050
  0.000129357210
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Cr.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.12el.
L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 91 (1989) 7011-7017. doi:10.1063/1.457317
CHROMIUM (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*CR7S-PDS(9/51/51)             (711/411/3111)
********************************************************************************
    12.0   2
* s-type functions
    9    1
       2988.67905000
        457.24072200
        104.90391400
         11.01805210
          4.97418545
          1.73679967
       6623.75244e-4
       7908.69116e-5
        299.56897e-4
 -0.001306667070
 -0.008696044140
 -0.025608670900
  0.095776523000
  0.078061565600
 -0.174697550000
 -0.302851872000
  0.668695193000
  0.453945016000
* p-type functions
    6    2
        231.92003800
         53.76619010
         16.05002570
          1.88385965
       6108.56541e-4
          0.07700000
 -0.017157843300  0.000000000000
 -0.102483319000  0.000000000000
 -0.239272607000  0.000000000000
  0.616962347000  0.000000000000
  0.479230255000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         27.37244930
          7.42415865
          2.42412242
       7802.42117e-4
       2193.19749e-4
          0.09120000
  0.030948873500  0.000000000000
  0.156883400000  0.000000000000
  0.370026252000  0.000000000000
  0.470503311000  0.000000000000
  0.338244730000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: CR7S-3S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.7200000000e5  3.2730000000e4  6.6220000000e3  1.6890000000e3  5.0920000000e2  1.5880000000e2 48.170000000000 19.835000000000  3.991000000000  1.677900000000
  0.014236550750  0.020655008417  0.039670720500  0.072579541833  0.109574238333  0.116111757500  0.238923807500  0.241284468333  0.094782594167  0.052181312667
M2
  0
COREREP
 1.0
PROJOP
    1
   20    3
  4.4077344000e2 52.418848000000  6.569631800000
    3801762.00000000
     575119.98000000
     133578.54000000
      35099.54300000
      10688.28900000
       3578.85610000
       1316.04450000
        526.11839000
        219.93625000
         94.43242000
         40.87134100
         17.82631800
          7.89429040
          3.38334900
          1.48982520
          0.64824716
          0.26639388
          0.10215064
        513.79534e-4
          0.02826113
  0.000008423591 -0.000002525118  0.000000913315
  0.000061346171 -0.000018389472  0.000006664097
  0.000338819650 -0.000101617040  0.000036729785
  0.001607314000 -0.000482617160  0.000175011730
  0.006368723500 -0.001920493900  0.000694210130
  0.022462731000 -0.006851385700  0.002490664100
  0.066227934000 -0.020815047000  0.007552161900
  0.163935620000 -0.055161706000  0.020308009000
  0.320241590000 -0.125737630000  0.046741477000
  0.384441820000 -0.208560530000  0.081750303000
  0.174351490000 -0.124617270000  0.050683946000
  0.007978616800  0.357769590000 -0.173343250000
  0.003567992500  0.649446310000 -0.506835920000
 -0.002068754400  0.181173360000 -0.089638020000
  0.001273592100 -0.004399403600  0.700579140000
 -0.000792026390  0.005681372200  0.499035580000
  0.000442170860 -0.002306519100  0.054299443000
 -0.000313152990  0.001681007000 -0.003510323800
  0.000222314500 -0.001040739400  0.001910668400
 -0.000074365837  0.000430736760 -0.000701542610
   12    1
 44.279242000000
       3578.85610000
       1316.04450000
        526.11839000
        219.93625000
         94.43242000
         40.87134100
         17.82631800
          7.89429040
          3.38334900
          1.48982520
          0.64824716
          0.26639388
  0.000391697660
  0.001436337100
  0.006956884500
  0.026345596000
  0.089678829000
  0.236740300000
  0.409408190000
  0.343312330000
  0.078952347000
 -0.000113306110
  0.001637666700
 -0.000235880540
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Mn.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.13el.
L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 91 (1989) 7011-7017. doi:10.1063/1.457317
MANGANESE (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*MN6S-PDS(9/51/51)             (711/411/3111)
********************************************************************************
    13.0   2
* s-type functions
    9    1
       3370.01298000
        512.78975200
        116.56180200
         11.54500630
          4.36281817
          2.16964225
       7725.78961e-4
       9676.90119e-5
       3593.39475e-5
 -0.001330777720
 -0.008993184640
 -0.027267658500
  0.115996772000
  0.094578933300
 -0.191167382000
 -0.337719055000
  0.667064396000
  0.465711281000
* p-type functions
    6    2
        255.68058400
         59.33611800
         17.78129810
          2.12347475
       7054.79701e-4
          0.09200000
 -0.017374892700  0.000000000000
 -0.104439830000  0.000000000000
 -0.244780358000  0.000000000000
  0.619128997000  0.000000000000
  0.474088401000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         35.11198950
          9.70400353
          3.24669734
          1.09628611
       3358.27616e-4
          0.10540000
  0.027390732500  0.000000000000
  0.145116074000  0.000000000000
  0.365224627000  0.000000000000
  0.481261766000  0.000000000000
  0.312222848000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: MN6S-3S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.8200000000e5  3.4960000000e4  7.2060000000e3  1.8580000000e3  5.6360000000e2  1.7740000000e2 53.850000000000 22.191000000000  4.509000000000  1.919000000000
  0.013407474615  0.019035911538  0.036365075385  0.066365093846  0.100566253846  0.106652830769  0.217501792308  0.226721538462  0.086916523077  0.049544426154
M2
  0
COREREP
 1.0
PROJOP
    1
   20    3
  4.8106756000e2 58.218796000000  7.633073800000
    1788558.00000000
     277988.11000000
      63945.15500000
      17709.52800000
       5588.89570000
       1941.19850000
        746.18805000
        304.07100000
        129.39805000
         56.23821800
         24.46627900
         10.81825700
          4.78807780
          2.09518090
          0.90811035
          0.37872680
          0.14941548
        691.30408e-4
        334.72653e-4
        159.84425e-4
  0.000023310440 -0.000007029096  0.000002585704
  0.000171475070 -0.000051740000  0.000018997506
  0.000919041890 -0.000277369330  0.000102122430
  0.003999817100 -0.001211457400  0.000444692260
  0.015269534000 -0.004659419200  0.001718945800
  0.048895886000 -0.015281578000  0.005624386200
  0.130133520000 -0.042893794000  0.015989534000
  0.277777010000 -0.103916610000  0.038989324000
  0.392175140000 -0.191689000000  0.075300658000
  0.248488590000 -0.183427560000  0.074804378000
  0.030585147000  0.194637340000 -0.088213946000
  0.002572691400  0.660953810000 -0.457067710000
 -0.001439902100  0.317239730000 -0.306058330000
  0.000954149470  0.006399283000  0.555426100000
 -0.000650455580  0.008213344100  0.660362820000
  0.000376745250 -0.003782737700  0.113357510000
 -0.000261182410  0.002701592300 -0.005672373900
  0.000193952230 -0.002007413000  0.003125434600
 -0.000102152940  0.001059609900 -0.001341246100
  0.000027885826 -0.000289772880  0.000330398430
   12    1
 49.625048000000
       5588.89570000
       1941.19850000
        746.18805000
        304.07100000
        129.39805000
         56.23821800
         24.46627900
         10.81825700
          4.78807780
          2.09518090
          0.90811035
          0.37872680
  0.000213307390
  0.000926356260
  0.004624823100
  0.018794348000
  0.065624657000
  0.188259820000
  0.375018450000
  0.395011320000
  0.137418800000
  0.005963118800
  0.001877731300
 -0.000276582020
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Fe.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.14el.
L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 91 (1989) 7011-7017. doi:10.1063/1.457317
IRON (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*FE5D-PDS(9/51/51)             (711/411/3111)
********************************************************************************
    14.0   2
* s-type functions
    9    1
       3672.19228000
        558.12603500
        126.77464700
         12.49116540
          4.47952722
          2.38637970
       8429.01582e-4
       1055.44905e-4
       3861.89088e-5
 -0.001317225220
 -0.008933842320
 -0.027237931500
  0.119139593000
  0.098668750500
 -0.203402151000
 -0.326834085000
  0.653929933000
  0.477808826000
* p-type functions
    6    2
        280.87137500
         65.28202640
         19.63689660
          2.35927849
       7828.63443e-4
          0.09800000
 -0.017386514200  0.000000000000
 -0.105071540000  0.000000000000
 -0.247511781000  0.000000000000
  0.621218466000  0.000000000000
  0.472185565000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         38.66442800
         10.72407110
          3.59097876
          1.20560071
       3634.17737e-4
          0.11330000
  0.028251231200  0.000000000000
  0.149786433000  0.000000000000
  0.370286462000  0.000000000000
  0.477119445000  0.000000000000
  0.311812508000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: FE5D-3S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.9000000000e5  3.6740000000e4  7.6700000000e3  1.9950000000e3  6.0930000000e2  1.9280000000e2 58.760000000000 24.311000000000  4.933000000000  2.105400000000
  0.012749141143  0.017829232357  0.033953654571  0.061707617571  0.093245852143  0.099047693571  0.202385014286  0.209770854286  0.081186667857  0.045267129286
M2
  0
COREREP
 1.0
PROJOP
    1
   20    3
  5.2274612000e2 63.870568000000  8.338365200000
    1758042.50000000
     283494.04000000
      67516.25800000
      19789.16200000
       6363.98820000
       2234.01290000
        848.63028000
        341.78984000
        143.26631000
         61.41638200
         26.43123200
         11.56938700
          5.02802360
          2.20213910
          0.95509441
          0.40891277
          0.16644102
        790.49249e-4
        353.55877e-4
        104.80921e-4
  0.000025704271 -0.000007793675  0.000002889373
  0.000183128180 -0.000055575566  0.000020556036
  0.000902036090 -0.000273706870  0.000101594190
  0.003746643500 -0.001141333500  0.000421920640
  0.014118055000 -0.004328490300  0.001609860500
  0.045653740000 -0.014325160000  0.005309101600
  0.125456950000 -0.041408737000  0.015555932000
  0.274093230000 -0.102459810000  0.038699141000
  0.399161970000 -0.194453440000  0.076990158000
  0.254490020000 -0.188849100000  0.077613984000
  0.030553261000  0.204982490000 -0.094280950000
  0.002455557000  0.675890870000 -0.480849150000
 -0.001456561100  0.299287260000 -0.277121600000
  0.000995409360 -0.000053308209  0.604102590000
 -0.000697018820  0.009873977500  0.622557780000
  0.000418227320 -0.004853947500  0.097340116000
 -0.000273768600  0.003208554300 -0.002269143300
  0.000168027110 -0.001962939300  0.000958205830
 -0.000061119765  0.000714504630 -0.000212135770
  0.000010764058 -0.000126013490  0.000025504090
   12    1
 54.826986000000
       6363.98820000
       2234.01290000
        848.63028000
        341.78984000
        143.26631000
         61.41638200
         26.43123200
         11.56938700
          5.02802360
          2.20213910
          0.95509441
          0.40891277
  0.000194888510
  0.000847409310
  0.004354255100
  0.018199191000
  0.065556087000
  0.191710920000
  0.384063960000
  0.395641760000
  0.126837810000
  0.003300884200
  0.002299243300
 -0.000393232620
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Co.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.15el.
L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 91 (1989) 7011-7017. doi:10.1063/1.457317
COBALT (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*CO4F-PDS(9/51/51)             (711/411/3111)
********************************************************************************
    15.0   2
* s-type functions
    9    1
       3942.94976000
        600.44184200
        137.00467500
         13.55746970
          4.78348266
          2.53741889
       8976.46931e-4
          0.11664253
       4211.97946e-5
 -0.001317259170
 -0.008901902840
 -0.027067343600
  0.119819652000
  0.094441418300
 -0.209739244000
 -0.313476020000
  0.623088078000
  0.509604793000
* p-type functions
    6    2
        307.28642200
         71.50212950
         21.57681110
          2.60600473
       8631.94192e-4
          0.10500000
 -0.017373603000  0.000000000000
 -0.105556458000  0.000000000000
 -0.249758953000  0.000000000000
  0.622370398000  0.000000000000
  0.471312640000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         42.85861530
         11.93667260
          4.00502019
          1.34095626
       4000.44778e-4
          0.12190000
  0.028504488900  0.000000000000
  0.151786101000  0.000000000000
  0.372547007000  0.000000000000
  0.475004279000  0.000000000000
  0.312462420000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: CO4F-3S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  2.9800000000e5  3.8600000000e4  8.1670000000e3  2.1420000000e3  6.5770000000e2  2.0900000000e2 63.940000000000 26.554000000000  5.388000000000  2.300200000000
  0.012167700733  0.016745991533  0.031789656133  0.057613691267  0.086955062000  0.092460286000  0.188994688667  0.195361292000  0.076032468667  0.041879162467
M2
  0
COREREP
 1.0
PROJOP
    1
   20    3
  5.6613076000e2 69.736696000000  9.048443000000
    2217759.30000000
     325957.72000000
      73680.66500000
      20953.45900000
       6601.20580000
       2320.27890000
        887.10362000
        360.43524000
        152.37236000
         65.53223500
         28.36507600
         12.51341500
          5.47341360
          2.38209100
          1.02282060
          0.42752012
          0.16350345
        796.07697e-4
        415.77263e-4
        193.53859e-4
  0.000021973079 -0.000006697153  0.000002497640
  0.000177106430 -0.000054011644  0.000020103966
  0.000912256990 -0.000278292140  0.000103894850
  0.003931823000 -0.001203600000  0.000447804570
  0.014919547000 -0.004601491400  0.001721463100
  0.047456828000 -0.014982406000  0.005588908700
  0.128701170000 -0.042846468000  0.016198713000
  0.275919510000 -0.104186080000  0.039637669000
  0.397085150000 -0.196158650000  0.078248251000
  0.250307790000 -0.186972170000  0.077626949000
  0.028533786000  0.213183910000 -0.099944952000
  0.002896349200  0.673528740000 -0.486272240000
 -0.001724316900  0.294870590000 -0.267199450000
  0.001123138300  0.001318152300  0.619003700000
 -0.000750888210  0.008804414300  0.616880010000
  0.000444373420 -0.004224947800  0.085343748000
 -0.000335163680  0.003236214800 -0.001459391600
  0.000282283310 -0.002721388200  0.000229435290
 -0.000148561610  0.001433749600  0.000175095220
  0.000034967230 -0.000337941570 -0.000078856885
   12    1
 60.240408000000
       6601.20580000
       2320.27890000
        887.10362000
        360.43524000
        152.37236000
         65.53223500
         28.36507600
         12.51341500
          5.47341360
          2.38209100
          1.02282060
          0.42752012
  0.000211565290
  0.000906276030
  0.004614336800
  0.018839165000
  0.067387870000
  0.195633450000
  0.385488530000
  0.389964770000
  0.123508560000
  0.003538893200
  0.002119522500
 -0.000324112230
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ni.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.16el.
L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 91 (1989) 7011-7017. doi:10.1063/1.457317
NICKEL (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*NI3F-PDS(9/51/51)             (711/411/3111)
********************************************************************************
    16.0   2
* s-type functions
    9    1
       4285.32329000
        651.91166600
        148.43104200
         14.61565810
          5.08491495
          2.69582983
       9637.77478e-4
       1247.06722e-4
       4440.12721e-5
 -0.001291434550
 -0.008765641940
 -0.026885866400
  0.120663572000
  0.088548487800
 -0.211511413000
 -0.300423481000
  0.616312812000
  0.514892857000
* p-type functions
    6    2
        335.21114000
         78.05211610
         23.61618700
          2.86237401
       9462.49872e-4
          0.11100000
 -0.017329090100  0.000000000000
 -0.105886106000  0.000000000000
 -0.251733492000  0.000000000000
  0.623521318000  0.000000000000
  0.470407510000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         47.29662940
         13.20797580
          4.43597869
          1.48229203
       4385.85592e-4
          0.13160000
  0.028692884000  0.000000000000
  0.153696374000  0.000000000000
  0.374873996000  0.000000000000
  0.473227536000  0.000000000000
  0.312182257000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: NI3F-3S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.0500000000e5  4.0270000000e4  8.6170000000e3  2.2780000000e3  7.0340000000e2  2.2400000000e2 68.830000000000 28.748000000000  5.832000000000  2.495300000000
  0.011676867000  0.015852444625  0.030017494875  0.054198340313  0.081578851875  0.086922205625  0.178259995000  0.181276731250  0.071603198750  0.038613871125
M2
  0
COREREP
 1.0
PROJOP
    1
   20    3
  6.1123776000e2 75.835578000000  9.775323400000
    2281984.00000000
     353233.40000000
      80880.94000000
      22646.37400000
       7171.15780000
       2505.87730000
        959.40061000
        392.00250000
        165.50971000
         71.36613900
         30.92746200
         13.55775000
          5.86280450
          2.56234450
          1.11011790
          0.46822616
          0.18135050
          0.08783760
        431.22313e-4
        110.33101e-4
  0.000022780111 -0.000006974217  0.000002614764
  0.000170909780 -0.000052382687  0.000019594429
  0.000902033640 -0.000276343740  0.000103719770
  0.003908915100 -0.001202795100  0.000449712030
  0.014746534000 -0.004566292100  0.001717657700
  0.047526671000 -0.015085998000  0.005654898900
  0.127060950000 -0.042451650000  0.016142795000
  0.273476230000 -0.103739660000  0.039650858000
  0.397480360000 -0.196349490000  0.078822303000
  0.252138800000 -0.189737750000  0.079082701000
  0.030874856000  0.210877780000 -0.099324250000
  0.002083682100  0.682149160000 -0.498121680000
 -0.001207992100  0.291410990000 -0.256291220000
  0.000815053730 -0.001791084600  0.629896400000
 -0.000564270870  0.009894519000  0.600928820000
  0.000325489420 -0.004685958200  0.089701178000
 -0.000221821180  0.003216149900 -0.003901234500
  0.000153472880 -0.002217003600  0.002228735700
 -0.000058168384  0.000840489770 -0.000713944820
  0.000007778937 -0.000112548080  0.000085279585
   12    1
 65.883430000000
       7171.15780000
       2505.87730000
        959.40061000
        392.00250000
        165.50971000
         71.36613900
         30.92746200
         13.55775000
          5.86280450
          2.56234450
          1.11011790
          0.46822616
  0.000210056550
  0.000915225260
  0.004579717800
  0.018695210000
  0.067273016000
  0.194406090000
  0.387621080000
  0.393162830000
  0.119786440000
  0.002638554400
  0.002295789800
 -0.000343731360
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Cu.NR-AIMP.Seijo.9s6p6d.1s2p2d.ECP.17el.
L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 91 (1989) 7011-7017. doi:10.1063/1.457317
COPPER (9s,6p,6d) -> [1s,2p,2d]
********************************************************************************
*core[Mg] val[3p,4s,3d]     (711/411*/3111d)=3s3p4d recomended
*CU2D-PDS(9/51/51)             (711/411/3111)
********************************************************************************
    17.0   2
* s-type functions
    9    1
       4662.70979000
        708.53498000
        160.94737700
         15.55696470
          5.33050478
          2.74733213
          1.01955538
       1334.40271e-4
       4684.27305e-5
 -0.001327817200
 -0.009053604170
 -0.028084689400
  0.129881861000
  0.076352627200
 -0.221244487000
 -0.287641020000
  0.607897810000
  0.522235246000
* p-type functions
    6    2
        364.16534800
         84.86264360
         25.73860460
          3.12824965
          1.03143633
          0.11700000
 -0.017276292000  0.000000000000
 -0.106086369000  0.000000000000
 -0.253246636000  0.000000000000
  0.623864769000  0.000000000000
  0.470406908000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    2
         51.49721080
         14.43077860
          4.85972387
          1.62491866
       4793.48422e-4
          0.14910000
  0.029389318600  0.000000000000
  0.157235288000  0.000000000000
  0.378759980000  0.000000000000
  0.470463366000  0.000000000000
  0.308257758000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: CU2S-3S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.1100000000e5  4.1720000000e4  8.9960000000e3  2.3990000000e3  7.4540000000e2  2.3770000000e2 73.490000000000 30.851000000000  6.210000000000  2.624600000000
  0.011258632353  0.015129228824  0.028591405294  0.051314552941  0.076907188235  0.082093329412  0.169433594118  0.167994705882  0.068155888235  0.035003827647
M2
  0
COREREP
 1.0
PROJOP
    1
   20    3
  6.5758542000e2 81.637664000000 10.023312000000
    2758564.60000000
     389207.39000000
      85910.82500000
      22599.69100000
       6902.64090000
       2387.22490000
        905.07647000
        368.31189000
        156.78077000
         67.11873400
         29.08702600
         12.85846200
          5.58068610
          2.40258960
          1.02652240
          0.42545349
          0.15400516
        778.73949e-4
        404.33927e-4
        183.69217e-4
  0.000020650977 -0.000006351784  0.000002377370
  0.000169285270 -0.000052080930  0.000019461722
  0.000951423460 -0.000292942760  0.000109729660
  0.004472450500 -0.001381361500  0.000516145020
  0.017127949000 -0.005339769100  0.002004537300
  0.054997197000 -0.017588190000  0.006593197700
  0.146761900000 -0.049935896000  0.018970961000
  0.299248610000 -0.117216920000  0.044973831000
  0.396202930000 -0.209175700000  0.084432082000
  0.213675390000 -0.162327600000  0.068781266000
  0.013076497000  0.317442650000 -0.159930380000
  0.004565875900  0.669699290000 -0.529281380000
 -0.002808382000  0.208056770000 -0.110134430000
  0.001726358400 -0.001253907100  0.710548950000
 -0.001080910500  0.005376660300  0.500626350000
  0.000620066990 -0.002188000500  0.051530306000
 -0.000483681950  0.001701936700  0.000190183070
  0.000425487930 -0.001479450300 -0.000248696100
 -0.000214214660  0.000740407440  0.000401981410
  0.000048817629 -0.000168828740 -0.000074835711
   12    1
 71.235694000000
       6902.64090000
       2387.22490000
        905.07647000
        368.31189000
        156.78077000
         67.11873400
         29.08702600
         12.85846200
          5.58068610
          2.40258960
          1.02652240
          0.42545349
  0.000259466890
  0.001132917800
  0.005851213800
  0.022976631000
  0.081323620000
  0.227629700000
  0.411810550000
  0.353153640000
  0.083592744000
  0.001771752000
  0.001359922900
 -0.000069575313
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Zn.NR-AIMP.Seijo.9s6p5d.1s2p1d.ECP.18el.
L. Seijo, Z. Barandiaran, S. Huzinaga. J. Chem. Phys. 91 (1989) 7011-7017. doi:10.1063/1.457317
ZINC (9s,6p,5d) -> [1s,2p,1d]
********************************************************************************
*core[Mg] val[3p,4s,3d]     (711/411*/311)=3s3p3d recomended
*ZN1S-PDS(9/51/5)              (711/411/311)
********************************************************************************
    18.0   2
* s-type functions
    9    1
       4956.87493000
        753.24743800
        171.32846900
         17.13669160
          5.97494120
          3.11523464
          1.11879944
       1401.66708e-4
        487.44538e-4
 -0.001257107060
 -0.008571763730
 -0.026454683200
  0.117542440000
  0.082446383500
 -0.205922049000
 -0.283735674000
  0.604208016000
  0.523055209000
* p-type functions
    6    2
        394.07025900
         91.91471250
         27.94936340
          3.40798059
          1.12193245
          0.12300000
 -0.017261757000  0.000000000000
 -0.106415053000  0.000000000000
 -0.254882552000  0.000000000000
  0.624979943000  0.000000000000
  0.469492703000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    5    1
         56.38693530
         15.84173180
          5.33801374
          1.78091431
       5214.73016e-4
  0.029313008800
  0.157688007000
  0.379305171000
  0.469754335000
  0.309857305000
********************************************************************************
* Core AIMP: ZN1S-3S
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.1800000000e5  4.3530000000e4  9.5470000000e3  2.5710000000e3  8.0330000000e2  2.5770000000e2 79.970000000000 33.640000000000  6.817000000000  2.912800000000
  0.010860998000  0.014349541111  0.026941044500  0.048281912333  0.072411745556  0.077238217778  0.158621895556  0.160183530556  0.064027056667  0.033750724556
M2
  0
COREREP
 1.0
PROJOP
    1
   20    3
  7.0660868000e2 88.723246000000 11.275179000000
    3354047.90000000
     469972.81000000
     103359.30000000
      27314.72500000
       8330.26510000
       2868.16300000
       1091.91030000
        447.94149000
        191.68607000
         83.42296300
         36.27273000
         16.06684700
          7.10392140
          3.10969640
          1.33909690
          0.55877603
          0.21536701
          0.10300207
        559.78501e-4
        256.13252e-4
  0.000017645399 -0.000005447158  0.000002058167
  0.000146405580 -0.000045240100  0.000017067641
  0.000820737680 -0.000253519490  0.000095861784
  0.003838909200 -0.001190702900  0.000449160860
  0.014866553000 -0.004641866500  0.001758684200
  0.048153794000 -0.015415685000  0.005832032400
  0.128730240000 -0.043431286000  0.016635317000
  0.271490550000 -0.104111410000  0.040204471000
  0.391616290000 -0.194939680000  0.078814881000
  0.255499850000 -0.192792540000  0.081624707000
  0.032927849000  0.203189050000 -0.098203802000
  0.002019224000  0.674389260000 -0.492942530000
 -0.001213149900  0.301421690000 -0.270631130000
  0.000813504210  0.005597435100  0.603906140000
 -0.000558016330  0.007422786500  0.623728660000
  0.000329924720 -0.003348825000  0.096505329000
 -0.000248389870  0.002584590900 -0.002537849000
  0.000215991100 -0.002239023600  0.001293145400
 -0.000118084100  0.001224683000 -0.000391599330
  0.000025819577 -0.000268092470  0.000044635492
   12    1
 77.849540000000
       8330.26510000
       2868.16300000
       1091.91030000
        447.94149000
        191.68607000
         83.42296300
         36.27273000
         16.06684700
          7.10392140
          3.10969640
          1.33909690
          0.55877603
  0.000210375900
  0.000951280550
  0.004728206600
  0.019021475000
  0.066682242000
  0.193971210000
  0.386810680000
  0.388457440000
  0.122705030000
  0.004904924200
  0.001876648100
 -0.000164019720
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         C.2.2.2. 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.NR-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]
********************************************************************************
*core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*Y2D-PDS(A1/71/61)             (911/611/4111)
********************************************************************************
     9.0   2
* s-type functions
   11    1
       8613.43687000
       1298.95252000
        294.03485900
         32.27883040
         16.70204600
          5.42727716
          2.77229575
       8816.16564e-4
       3904.35528e-4
       5895.43303e-5
       2393.43039e-5
  0.000673463002
  0.004687486030
  0.014831123900
 -0.056600738200
 -0.036456479500
  0.104464689000
  0.178177438000
 -0.198249523000
 -0.452315814000
  0.747949652000
  0.422460553000
* p-type functions
    8    2
        715.74781300
        167.95547700
         52.20901820
          8.18070222
          4.27630006
       8102.06747e-4
       2963.65037e-4
          0.05600000
  0.006223469320  0.000000000000
  0.039689004000  0.000000000000
  0.097844117100  0.000000000000
 -0.191715618000  0.000000000000
 -0.237649742000  0.000000000000
  0.665510965000  0.000000000000
  0.451596203000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
         79.73801910
         22.32980310
          7.28803027
       8703.96738e-4
       2970.14699e-4
       9339.69536e-5
          0.03160000
 -0.014015454500  0.000000000000
 -0.067866146500  0.000000000000
 -0.118495092000  0.000000000000
  0.323655845000  0.000000000000
  0.531259116000  0.000000000000
  0.364248754000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: Y2D-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  2.8460000000e5  3.5480000000e4  7.3480000000e3  1.9310000000e3  5.7520000000e2  1.6980000000e2 67.560000000000 17.550000000000  7.978000000000  2.403000000000  0.950800000000
  0.040453402222  0.057682698889  0.110520674444  0.187885566667  0.236108788889  0.417724733333  0.514056733333  0.611350822222  0.875087600000  0.189707533333  0.092754781111
M2
  0
COREREP
 1.0
PROJOP
    2
   22    4
  1.2334980000e3  1.7162158000e2 29.517304000000  4.337281800000
   11168391.00000000
    1739037.90000000
     424231.07000000
     116314.48000000
      34965.39500000
      11195.11000000
       3900.18000000
       1484.67700000
        607.60492000
        261.86895000
        116.37714000
         52.46526500
         24.00039400
         10.84120800
          4.95600110
          2.28380010
          1.03967000
          0.46195169
          0.19069358
          0.06805543
        393.48458e-4
        259.10135e-4
  0.000007345446 -0.000002329179  0.000000959482 -0.000000353171
  0.000051041645 -0.000016173803  0.000006665083 -0.000002450860
  0.000259492980 -0.000082341633  0.000033916571 -0.000012489488
  0.001204174900 -0.000382040270  0.000157476830 -0.000057895609
  0.005074890900 -0.001617870100  0.000666772900 -0.000245588260
  0.019310993000 -0.006212429700  0.002565609500 -0.000943392760
  0.061985118000 -0.020556821000  0.008515133600 -0.003140070600
  0.161700960000 -0.057395667000  0.024020959000 -0.008847065200
  0.317825180000 -0.132460980000  0.056574881000 -0.020995596000
  0.383034150000 -0.218718150000  0.098071093000 -0.036457065000
  0.183902310000 -0.140985710000  0.068694236000 -0.026486572000
  0.012706551000  0.353334050000 -0.212987760000  0.084945772000
  0.002465715300  0.649643760000 -0.587619170000  0.245075940000
 -0.001618311500  0.193462480000 -0.086548516000  0.043488550000
  0.001045166000  0.002747820900  0.814222660000 -0.514829410000
 -0.000717933330  0.002655662300  0.452458110000 -0.544368290000
  0.000435695220 -0.001039922000  0.010695111000  0.497120430000
 -0.000240209400  0.000375680240  0.009019871500  0.797348940000
  0.000130760990 -0.000209572100 -0.003916083600  0.128888010000
 -0.000119397240  0.000178990760  0.003714258200 -0.011316584000
  0.000116515560 -0.000172826640 -0.003635634500  0.008630503400
 -0.000045310392  0.000066887484  0.001417131600 -0.002912886900
   14    2
  1.5632855000e2 23.707842000000
      11195.11000000
       3900.18000000
       1484.67700000
        607.60492000
        261.86895000
        116.37714000
         52.46526500
         24.00039400
         10.84120800
          4.95600110
          2.28380010
          1.03967000
          0.46195169
          0.19069358
  0.000330454920 -0.000139747560
  0.001443608300 -0.000606681120
  0.007273778000 -0.003102752100
  0.028541227000 -0.012250534000
  0.094920419000 -0.042261297000
  0.244147470000 -0.113521250000
  0.412361330000 -0.207817080000
  0.322460680000 -0.118637490000
  0.071022596000  0.311644860000
  0.002042034800  0.572877640000
  0.000641807710  0.251764640000
 -0.000134719900  0.015394810000
  0.000032990651  0.002238054200
 -0.000008725567 -0.000520323770
   12    1
 13.198465000000
        607.60492000
        261.86895000
        116.37714000
         52.46526500
         24.00039400
         10.84120800
          4.95600110
          2.28380010
          1.03967000
          0.46195169
          0.19069358
          0.06805543
  0.000902003230
  0.003576141000
  0.019116785000
  0.068452914000
  0.197081730000
  0.358953450000
  0.380870460000
  0.202143860000
  0.035336278000
  0.002166694400
 -0.000145026930
  0.000091617149
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Zr.NR-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]
********************************************************************************
*core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*ZR5F-PDS(A1/71/61)            (911/611/4111)
********************************************************************************
    10.0   2
* s-type functions
   11    1
       8822.80969000
       1338.98907000
        306.36334600
         34.60958260
         17.06310460
          6.87824089
          3.09908484
          1.07205128
       4331.26089e-4
        611.87753e-4
       2509.27757e-5
  0.000672087008
  0.004615120620
  0.014342526700
 -0.053396884900
 -0.043244704600
  0.080222057100
  0.209762634000
 -0.186596283000
 -0.443652709000
  0.747109699000
  0.412625887000
* p-type functions
    8    2
        754.96885000
        177.42641300
         55.29982890
          8.81132519
          4.71382079
       8950.43714e-4
       3221.54538e-4
          0.05900000
  0.006451335250  0.000000000000
  0.041129654600  0.000000000000
  0.101380923000  0.000000000000
 -0.192106369000  0.000000000000
 -0.247698514000  0.000000000000
  0.676497848000  0.000000000000
  0.443820498000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
         86.34273070
         24.37606530
          8.05734207
       9821.04081e-4
       3293.21359e-4
       9978.96712e-5
          0.03820000
 -0.014133920800  0.000000000000
 -0.068721104900  0.000000000000
 -0.121296896000  0.000000000000
  0.333321605000  0.000000000000
  0.522521077000  0.000000000000
  0.375682629000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: ZR5F-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.0040000000e5  3.9020000000e4  8.2650000000e3  2.1940000000e3  6.6220000000e2  1.9540000000e2 76.560000000000 20.320000000000  9.077000000000  2.816000000000  1.068800000000
  0.036157835000  0.050056986000  0.095433679000  0.163383420000  0.208873520000  0.352808850000  0.486374600000  0.495624190000  0.843273500000  0.178069420000  0.089943999000
M2
  0
COREREP
 1.0
PROJOP
    2
   22    4
  1.3011876000e3  1.8252133000e2 31.874994000000  4.612655400000
   10310803.00000000
    1685663.20000000
     418537.42000000
     116101.64000000
      34570.13700000
      11081.48100000
       3834.95720000
       1455.02040000
        592.79760000
        254.65024000
        112.51090000
         50.47659400
         22.96689400
         10.33329800
          4.70248360
          2.12941260
          0.98228075
          0.43570293
          0.18298224
        699.05936e-4
        379.24313e-4
          0.02532578
  0.000008406643 -0.000002671343  0.000001109008 -0.000000416893
  0.000055999100 -0.000017787796  0.000007384915 -0.000002770934
  0.000275197450 -0.000087502052  0.000036328028 -0.000013666812
  0.001297492100 -0.000412710780  0.000171378410 -0.000064283176
  0.005478619700 -0.001750552200  0.000727239000 -0.000273664270
  0.020878532000 -0.006740587200  0.002804576400 -0.001052081700
  0.067340008000 -0.022444377000  0.009376377700 -0.003533706300
  0.174025430000 -0.062464999000  0.026361970000 -0.009903066000
  0.334487460000 -0.142571080000  0.061605761000 -0.023399658000
  0.377615120000 -0.225499500000  0.102470740000 -0.038819451000
  0.158844630000 -0.110785980000  0.055518685000 -0.022416246000
  0.006485309500  0.429567200000 -0.272921780000  0.112855710000
  0.002786176800  0.622159970000 -0.599992030000  0.256544570000
 -0.001814858900  0.138633690000  0.060095403000 -0.020091989000
  0.001143166100  0.004479413100  0.871125740000 -0.632964320000
 -0.000779418650 -0.000878478780  0.334475700000 -0.419157870000
  0.000491665890  0.000977444020 -0.004724602100  0.703087020000
 -0.000277276520 -0.000764742340  0.008917183800  0.659300490000
  0.000158482290  0.000443595890 -0.003875593600  0.074305458000
 -0.000130774810 -0.000381181110  0.003147904000 -0.002896773900
  0.000121324250  0.000354584340 -0.002915394700 -0.001133728300
 -0.000050685255 -0.000149789400  0.001204294100 -0.001008326600
   14    2
  1.6672528000e2 25.806576000000
      11081.48100000
       3834.95720000
       1455.02040000
        592.79760000
        254.65024000
        112.51090000
         50.47659400
         22.96689400
         10.33329800
          4.70248360
          2.12941260
          0.98228075
          0.43570293
          0.18298224
  0.000370636850 -0.000158345760
  0.001635534200 -0.000694531770
  0.008267139300 -0.003565085700
  0.032396458000 -0.014076395000
  0.106804050000 -0.048252713000
  0.268210270000 -0.126983570000
  0.424499850000 -0.217808740000
  0.290474260000 -0.079939895000
  0.049919441000  0.385669480000
  0.002106554500  0.565550700000
 -0.000254572420  0.183962220000
  0.000279189210  0.003956486600
 -0.000156393390  0.002524390100
  0.000042170635 -0.000522419030
   12    1
 14.801592000000
        592.79760000
        254.65024000
        112.51090000
         50.47659400
         22.96689400
         10.33329800
          4.70248360
          2.12941260
          0.98228075
          0.43570293
          0.18298224
        699.05936e-4
  0.001088026500
  0.004416483900
  0.023103318000
  0.081906924000
  0.225231180000
  0.383136690000
  0.368785860000
  0.157559720000
  0.016237199000
  0.002677447300
 -0.000727037540
  0.000274787630
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Nb.NR-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]
********************************************************************************
*core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*NB6D-PDS(A1/71/61)            (911/611/4111)
********************************************************************************
    11.0   2
* s-type functions
   11    1
       9686.86640000
       1454.99374000
        327.48906900
         42.19299030
         26.39027210
          8.27904890
          4.06202389
       9576.16969e-4
       4711.00138e-4
       6743.08101e-5
       2696.35257e-5
  0.000657843576
  0.004622626570
  0.014841074800
 -0.024303094400
 -0.062286100200
  0.021738186900
  0.233436931000
 -0.207158330000
 -0.391726583000
  0.744196770000
  0.413657508000
* p-type functions
    8    2
        800.92334200
        188.16267500
         58.67837840
          9.34751031
          5.08784739
       9916.19768e-4
       3581.10814e-4
          0.06500000
  0.006633020720  0.000000000000
  0.042496800600  0.000000000000
  0.105382801000  0.000000000000
 -0.201473524000  0.000000000000
 -0.252015527000  0.000000000000
  0.684956434000  0.000000000000
  0.437758939000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
         93.86140260
         26.58236900
          8.85527074
          1.12717436
       3900.04901e-4
       1208.64611e-4
          0.03310000
 -0.015180615900  0.000000000000
 -0.074865366700  0.000000000000
 -0.133651540000  0.000000000000
  0.352387035000  0.000000000000
  0.523159388000  0.000000000000
  0.345264667000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: NB6D-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.0410000000e5  3.9720000000e4  8.4820000000e3  2.2650000000e3  6.8520000000e2  2.0380000000e2 80.800000000000 21.710000000000  9.796000000000  3.029000000000  1.174300000000
  0.033595083636  0.046305946364  0.087772973636  0.149802036364  0.190888227273  0.322222636364  0.438802227273  0.448209290909  0.769594781818  0.159543454545  0.080536070000
M2
  0
COREREP
 1.0
PROJOP
    2
   22    4
  1.3708870000e3  1.9394907000e2 34.493324000000  5.074184500000
   11823269.00000000
    1978107.50000000
     451145.65000000
     125140.80000000
      37477.30500000
      12048.02700000
       4196.11970000
       1592.37980000
        649.37170000
        279.27682000
        123.79233000
         55.73269500
         25.45224000
         11.49573100
          5.25552710
          2.39598110
          1.11950310
          0.49391296
          0.20294235
        770.27354e-4
        405.75742e-4
        251.90911e-4
  0.000007237351 -0.000002304899  0.000000963849 -0.000000370413
  0.000051371392 -0.000016350973  0.000006839113 -0.000002623909
  0.000274419240 -0.000087451499  0.000036569105 -0.000014062251
  0.001243317500 -0.000396239590  0.000165776190 -0.000063576429
  0.005272322300 -0.001688287100  0.000706403630 -0.000271735680
  0.019902320000 -0.006434427500  0.002697262500 -0.001034519000
  0.064125091000 -0.021385768000  0.008996080400 -0.003465651900
  0.167346140000 -0.059903044000  0.025461583000 -0.009780068900
  0.325899320000 -0.137759650000  0.059861403000 -0.023236406000
  0.381247850000 -0.223167420000  0.101957510000 -0.039508232000
  0.172007580000 -0.127754310000  0.063894774000 -0.026153490000
  0.009448048700  0.392885580000 -0.247072500000  0.104317690000
  0.002630759600  0.638230270000 -0.606126320000  0.265143950000
 -0.001738502900  0.164324930000 -0.008318545500  0.013294515000
  0.001109394400  0.003385999200  0.870006080000 -0.635203610000
 -0.000765587000  0.000638258760  0.374978800000 -0.475915390000
  0.000474298980  0.000043404880 -0.003254675500  0.692166570000
 -0.000253157390 -0.000233980780  0.009922462500  0.688431380000
  0.000138599290  0.000130741590 -0.004198372200  0.081316412000
 -0.000107193800 -0.000114739390  0.003244496800 -0.005219336200
  0.000089354395  0.000094110846 -0.002710792100 -0.000268231070
 -0.000034155254 -0.000038042910  0.001025929400 -0.001492682600
   14    2
  1.7764558000e2 28.162023000000
      12048.02700000
       4196.11970000
       1592.37980000
        649.37170000
        279.27682000
        123.79233000
         55.73269500
         25.45224000
         11.49573100
          5.25552710
          2.39598110
          1.11950310
          0.49391296
          0.20294235
  0.000349192720 -0.000150557370
  0.001528103400 -0.000655267810
  0.007755930400 -0.003374421000
  0.030482738000 -0.013364765000
  0.101083470000 -0.046018076000
  0.256917250000 -0.122526950000
  0.419574330000 -0.216886620000
  0.305514160000 -0.099473444000
  0.058861037000  0.360864100000
  0.001960456600  0.577011180000
  0.000060727423  0.201458560000
  0.000104077520  0.005470444400
 -0.000084245295  0.002792768600
  0.000019569195 -0.000535514150
   12    1
 16.657816000000
        649.37170000
        279.27682000
        123.79233000
         55.73269500
         25.45224000
         11.49573100
          5.25552710
          2.39598110
          1.11950310
          0.49391296
          0.20294235
        770.27354e-4
  0.001028470000
  0.004151452100
  0.021878874000
  0.078142970000
  0.218707810000
  0.380708850000
  0.374030550000
  0.161503640000
  0.016936276000
  0.002752765800
 -0.000711680560
  0.000268296760
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Mo.NR-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]
********************************************************************************
*core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*MO7S-PDS(A1/71/61)            (911/611/4111)
********************************************************************************
    12.0   2
* s-type functions
   11    1
      10363.20270000
       1548.73928000
        346.87504300
         37.74966130
         20.44967310
          6.36337577
          3.34176380
          1.25919244
       5344.07506e-4
       7433.81901e-5
       2928.09412e-5
  0.000655109503
  0.004648673400
  0.015097533300
 -0.057699757900
 -0.036227193500
  0.117647207000
  0.179985237000
 -0.205186071000
 -0.421431565000
  0.715383690000
  0.440607640000
* p-type functions
    8    2
        844.86367700
        198.62115300
         62.04985620
          9.94566351
          5.50728786
          1.08914572
       3940.61147e-4
          0.07000000
  0.006826548490  0.000000000000
  0.043807519500  0.000000000000
  0.108875175000  0.000000000000
 -0.206956370000  0.000000000000
 -0.257720660000  0.000000000000
  0.691984202000  0.000000000000
  0.432513019000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        101.92091900
         28.92654090
          9.69388657
          1.27551526
       4521.34139e-4
       1431.25727e-4
          0.04320000
 -0.015851836300  0.000000000000
 -0.079436304600  0.000000000000
 -0.143699282000  0.000000000000
  0.366965366000  0.000000000000
  0.522538344000  0.000000000000
  0.321824095000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: MO7S-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.0320000000e5  3.9530000000e4  8.4090000000e3  2.2480000000e3  6.7850000000e2  2.0260000000e2 81.220000000000 21.450000000000 10.011000000000  2.953000000000  1.231900000000
  0.031744857500  0.043912395000  0.083368666667  0.141018775000  0.177620050000  0.311255533333  0.390198958333  0.458177641667  0.661275358333  0.137254858333  0.064172906667
M2
  0
COREREP
 1.0
PROJOP
    2
   22    4
  1.4424032000e3  2.0570044000e2 37.168002000000  5.524595200000
   13866572.00000000
    2154844.80000000
     525630.49000000
     143732.83000000
      43256.91700000
      13846.17800000
       4821.38700000
       1833.59380000
        747.78261000
        321.37487000
        142.16298000
         63.81841200
         29.15904300
         13.15284500
          5.97968920
          2.79967020
          1.25628190
          0.55250181
          0.23334567
        927.17921e-4
        492.32084e-4
        285.16336e-4
  0.000006764049 -0.000002158515  0.000000908637 -0.000000355585
  0.000046980509 -0.000014983458  0.000006313608 -0.000002467361
  0.000239697960 -0.000076540724  0.000032208841 -0.000012611815
  0.001113818800 -0.000355645600  0.000149918040 -0.000058572016
  0.004683912400 -0.001502249700  0.000632444530 -0.000247710600
  0.017893192000 -0.005788802900  0.002444860500 -0.000955312540
  0.057630740000 -0.019185449000  0.008115041900 -0.003182627900
  0.152541690000 -0.054168574000  0.023181740000 -0.009071823400
  0.307448900000 -0.127187300000  0.055384570000 -0.021869422000
  0.387721230000 -0.217385650000  0.099625348000 -0.039347892000
  0.201605220000 -0.158116440000  0.077947668000 -0.032055641000
  0.015728674000  0.326745160000 -0.198984980000  0.085090181000
  0.002827503100  0.660764440000 -0.608391780000  0.270749850000
 -0.001933418100  0.212330670000 -0.112164790000  0.063820145000
  0.001300249400  0.001325898800  0.848641970000 -0.608983550000
 -0.000891601560  0.003766333800  0.434055460000 -0.539595180000
  0.000532742100 -0.001785187900  0.014180141000  0.657708570000
 -0.000307314010  0.000823623200  0.005573825700  0.717299670000
  0.000180854060 -0.000486748190 -0.002173962500  0.081964832000
 -0.000136666100  0.000355691250  0.001711709800  0.003758651700
  0.000101201480 -0.000266841580 -0.001272038500 -0.007181559300
 -0.000033869985  0.000086148424  0.000416920430  0.000329257790
   14    2
  1.8888735000e2 30.572030000000
      13846.17800000
       4821.38700000
       1833.59380000
        747.78261000
        321.37487000
        142.16298000
         63.81841200
         29.15904300
         13.15284500
          5.97968920
          2.79967020
          1.25628190
          0.55250181
          0.23334567
  0.000299723930 -0.000130039390
  0.001310205100 -0.000568503100
  0.006661893900 -0.002914496200
  0.026492841000 -0.011722856000
  0.089627587000 -0.040917879000
  0.237157240000 -0.113677690000
  0.411373020000 -0.212782140000
  0.332075410000 -0.132208440000
  0.076571261000  0.320666540000
  0.001486658100  0.589822500000
  0.000877999910  0.228218060000
 -0.000323720930  0.015758732000
  0.000099199634  0.000284541640
 -0.000034594413  0.000172601790
   12    1
 18.567467000000
        747.78261000
        321.37487000
        142.16298000
         63.81841200
         29.15904300
         13.15284500
          5.97968920
          2.79967020
          1.25628190
          0.55250181
          0.23334567
        927.17921e-4
  0.000867278750
  0.003544248300
  0.019166482000
  0.070705101000
  0.204345580000
  0.377872510000
  0.382890680000
  0.170659680000
  0.025298589000
 -0.000313571470
  0.000474522010
 -0.000143875490
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Tc.NR-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]
********************************************************************************
*core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*TC6S-PDS(A1/71/61)            (911/611/4111)
********************************************************************************
    13.0   2
* s-type functions
   11    1
      10579.02260000
       1592.85234000
        360.43379200
         41.92061410
         25.02728180
          6.35187785
          3.35614247
          1.35330037
       5709.94554e-4
       8506.48426e-5
       3270.88837e-5
  0.000720668745
  0.005040863860
  0.016111194200
 -0.048624174600
 -0.049199662700
  0.147703322000
  0.171543894000
 -0.235746438000
 -0.420377628000
  0.678750862000
  0.484010406000
* p-type functions
    8    2
        891.61590100
        209.78768600
         65.60465290
         10.50088520
          5.88199713
          1.20066872
       4455.47891e-4
          0.07600000
  0.007041724460  0.000000000000
  0.045301278300  0.000000000000
  0.113130381000  0.000000000000
 -0.219074601000  0.000000000000
 -0.261379603000  0.000000000000
  0.699218504000  0.000000000000
  0.425842927000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        109.85992900
         31.24722890
         10.53539710
          1.45612919
       5486.14547e-4
       1892.06128e-4
          0.06580000
 -0.017422836600  0.000000000000
 -0.088371263200  0.000000000000
 -0.161036546000  0.000000000000
  0.387219013000  0.000000000000
  0.524334406000  0.000000000000
  0.269298326000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: TC6S-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.2000000000e5  4.3410000000e4  9.4940000000e3  2.5730000000e3  7.8940000000e2  2.3640000000e2 92.980000000000 25.370000000000 11.484000000000  3.582000000000  1.419000000000
  0.029045577692  0.038937661538  0.073220561538  0.124770830769  0.160182223077  0.264793407692  0.381164869231  0.364280338462  0.668229730769  0.134293800000  0.068773310000
M2
  0
COREREP
 1.0
PROJOP
    2
   22    4
  1.5160854000e3  2.1813942000e2 40.263288000000  6.303878000000
   14288049.00000000
    2232207.90000000
     552676.76000000
     154323.11000000
      46903.07400000
      15123.94500000
       5260.41240000
       1999.63310000
        817.43069000
        353.05104000
        157.53546000
         71.54368200
         33.07441400
         15.13555800
          6.97284500
          3.30490490
          1.50049800
          0.67106803
          0.28824808
          0.11790683
        607.49628e-4
        302.66885e-4
  0.000006887907 -0.000002202292  0.000000933280 -0.000000372872
  0.000047591776 -0.000015208862  0.000006450954 -0.000002574994
  0.000234148040 -0.000074912079  0.000031735276 -0.000012684339
  0.001071030000 -0.000342659890  0.000145397740 -0.000058026873
  0.004451679900 -0.001430274800  0.000606191550 -0.000242340020
  0.016990870000 -0.005504941900  0.002340109700 -0.000934107970
  0.055137270000 -0.018361074000  0.007817706800 -0.003128892900
  0.146454060000 -0.051910565000  0.022350285000 -0.008937317800
  0.297740770000 -0.122197180000  0.053512899000 -0.021552474000
  0.386046010000 -0.212209780000  0.097593321000 -0.039416449000
  0.216539600000 -0.171475650000  0.084677497000 -0.035275841000
  0.022049542000  0.271283910000 -0.162794100000  0.070631293000
  0.002508684400  0.661311130000 -0.588387850000  0.267306750000
 -0.001705360900  0.262412000000 -0.223544830000  0.118740500000
  0.001174758200  0.003733276500  0.787144510000 -0.546983590000
 -0.000826213340  0.005899582300  0.532138290000 -0.651264070000
  0.000497730540 -0.003080982600  0.028109424000  0.548732620000
 -0.000287666730  0.001584705900  0.007145248000  0.797398860000
  0.000166247430 -0.000932213580 -0.003079607200  0.118181960000
 -0.000111914690  0.000621456610  0.002267015300  0.001557844200
  0.000068578067 -0.000380504200 -0.001402432100 -0.001854554400
 -0.000018872592  0.000104703220  0.000388831770  0.000714243370
   14    2
  2.0081194000e2 33.398748000000
      15123.94500000
       5260.41240000
       1999.63310000
        817.43069000
        353.05104000
        157.53546000
         71.54368200
         33.07441400
         15.13555800
          6.97284500
          3.30490490
          1.50049800
          0.67106803
          0.28824808
  0.000280238130 -0.000122517280
  0.001229227100 -0.000538319970
  0.006255972000 -0.002757219800
  0.024793098000 -0.011062786000
  0.083707605000 -0.038448486000
  0.222031880000 -0.107044480000
  0.396567990000 -0.205786890000
  0.349060620000 -0.155242970000
  0.095930216000  0.263729460000
  0.002417587700  0.589959740000
  0.001414362800  0.278159710000
 -0.000599267170  0.024010986000
  0.000218888540  0.000614073490
 -0.000070087760  0.000087590986
   12    1
 20.888936000000
        817.43069000
        353.05104000
        157.53546000
         71.54368200
         33.07441400
         15.13555800
          6.97284500
          3.30490490
          1.50049800
          0.67106803
          0.28824808
          0.11790683
  0.000811722340
  0.003278435800
  0.017529418000
  0.064578146000
  0.188909780000
  0.361907420000
  0.389844950000
  0.192408790000
  0.032577655000
 -0.000313147340
  0.000624344610
 -0.000178621140
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ru.NR-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]
********************************************************************************
*core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*RU5F-PDS(A1/71/61)            (911/611/4111)
********************************************************************************
    14.0   2
* s-type functions
   11    1
      10983.03600000
       1665.61219000
        378.91070500
         40.83383470
         21.60077190
          6.32751356
          3.32283666
          1.27544756
       5576.77526e-4
       8333.92203e-5
       3177.25329e-5
  0.000678101327
  0.004698609180
  0.014995065200
 -0.062927568300
 -0.029977109300
  0.175154274000
  0.111562753000
 -0.265714011000
 -0.327959837000
  0.639914206000
  0.509333194000
* p-type functions
    8    2
        937.99757300
        220.79210800
         69.15418820
         11.14567080
          6.35690230
          1.29611462
       4717.29778e-4
          0.07400000
  0.007148487470  0.000000000000
  0.046063484700  0.000000000000
  0.115227621000  0.000000000000
 -0.220381401000  0.000000000000
 -0.264227798000  0.000000000000
  0.703299532000  0.000000000000
  0.424394480000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        118.45559500
         33.80795010
         11.46950670
          1.58340925
          0.56990023
       1802.18881e-4
          0.07280000
 -0.016796659000  0.000000000000
 -0.086115086300  0.000000000000
 -0.159455415000  0.000000000000
  0.388302842000  0.000000000000
  0.516837307000  0.000000000000
  0.301887899000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: RU5F-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.2380000000e5  4.4490000000e4  9.8020000000e3  2.6690000000e3  8.2060000000e2  2.4680000000e2 97.750000000000 26.960000000000 12.281000000000  3.770000000000  1.499500000000
  0.027465543571  0.036464048571  0.068491737143  0.116409392857  0.149304028571  0.246892978571  0.352377971429  0.335689907143  0.624179835714  0.123799392857  0.061782300000
M2
  0
COREREP
 1.0
PROJOP
    2
   22    4
  1.5910258000e3  2.3031698000e2 42.826936000000  6.513424400000
   14091449.00000000
    2354967.80000000
     543769.35000000
     152463.24000000
      46026.23400000
      14846.29600000
       5160.86390000
       1950.96900000
        795.00657000
        342.56512000
        152.67305000
         69.25561700
         31.88535600
         14.54547300
          6.71606720
          3.09060560
          1.46141970
          0.64938028
          0.27154305
          0.10666577
          0.05584831
        273.23033e-4
  0.000006964623 -0.000002231166  0.000000951383 -0.000000383636
  0.000049038862 -0.000015699193  0.000006697251 -0.000002695718
  0.000257159140 -0.000082438729  0.000035148518 -0.000014183000
  0.001150934100 -0.000368887110  0.000157414580 -0.000063332334
  0.004848073200 -0.001561255600  0.000666016600 -0.000268846420
  0.018335809000 -0.005956438000  0.002546601800 -0.001024685600
  0.059740845000 -0.019989936000  0.008570863900 -0.003464818000
  0.158056990000 -0.056543990000  0.024503429000 -0.009874314900
  0.313773510000 -0.131511770000  0.058166728000 -0.023697547000
  0.384385540000 -0.219695330000  0.102140730000 -0.041530695000
  0.191515000000 -0.149718480000  0.075661069000 -0.032386301000
  0.014625541000  0.338732980000 -0.212995290000  0.094781670000
  0.002463341700  0.653931380000 -0.614381210000  0.282346330000
 -0.001673492400  0.206570670000 -0.108538340000  0.068932382000
  0.001095049700  0.002622533500  0.871971310000 -0.672876740000
 -0.000770772420  0.002852912000  0.429839300000 -0.540129940000
  0.000480739270 -0.001371429500 -0.002218163400  0.714029110000
 -0.000256373430  0.000514531000  0.012519466000  0.691243350000
  0.000139651990 -0.000282626970 -0.005424386200  0.090896104000
 -0.000096110900  0.000184262470  0.003791575200 -0.004547072400
  0.000061106939 -0.000119157290 -0.002406502000  0.001242223300
 -0.000016392235  0.000029909050  0.000645529090 -0.001014011900
   14    2
  2.1247808000e2 35.696648000000
      14846.29600000
       5160.86390000
       1950.96900000
        795.00657000
        342.56512000
        152.67305000
         69.25561700
         31.88535600
         14.54547300
          6.71606720
          3.09060560
          1.46141970
          0.64938028
          0.27154305
  0.000314036100 -0.000138680180
  0.001388081000 -0.000611169000
  0.007102405200 -0.003164010200
  0.028066436000 -0.012621898000
  0.093739269000 -0.043650910000
  0.241674710000 -0.118051520000
  0.410244530000 -0.216870190000
  0.324848400000 -0.126226110000
  0.073212606000  0.328587330000
  0.001909685000  0.594811270000
  0.000493448280  0.219961110000
 -0.000173964340  0.006745381800
  0.000014131886  0.003343651100
 -0.000012471342 -0.000562107030
   12    1
 22.685887000000
        795.00657000
        342.56512000
        152.67305000
         69.25561700
         31.88535600
         14.54547300
          6.71606720
          3.09060560
          1.46141970
          0.64938028
          0.27154305
          0.10666577
  0.000977882470
  0.003944626400
  0.020816291000
  0.075132601000
  0.213663040000
  0.381689760000
  0.379451220000
  0.156735830000
  0.014508867000
  0.002831994800
 -0.000627959300
  0.000318162270
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Rh.NR-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]
********************************************************************************
*core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*RH4F-PDS(A1/71/61)            (911/611/4111)
********************************************************************************
    15.0   2
* s-type functions
   11    1
      11789.48230000
       1770.99299000
        399.48203600
         42.51242850
         19.92561800
          8.62322085
          4.63918934
          1.34349352
       5968.49567e-4
       8484.15022e-5
       3203.46552e-5
  0.000650199943
  0.004577782710
  0.014822135600
 -0.064489273100
 -0.036153035600
  0.091283222500
  0.185288230000
 -0.245981201000
 -0.312263526000
  0.624788349000
  0.516292184000
* p-type functions
    8    2
        988.51393900
        232.67174100
         72.91348860
         11.74715750
          6.79004775
          1.40483202
       5122.32178e-4
          0.07500000
  0.007261725410  0.000000000000
  0.046963263100  0.000000000000
  0.118037775000  0.000000000000
 -0.227914847000  0.000000000000
 -0.264972190000  0.000000000000
  0.707010375000  0.000000000000
  0.422223292000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        126.85839100
         36.31382370
         12.39050590
          1.74539069
       6328.48021e-4
       2010.52217e-4
          0.07620000
 -0.017178916600  0.000000000000
 -0.088802293500  0.000000000000
 -0.165909737000  0.000000000000
  0.396037158000  0.000000000000
  0.514578595000  0.000000000000
  0.293427659000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: RH4F1-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.2860000000e5  4.5340000000e4  9.9780000000e3  2.7220000000e3  8.4040000000e2  2.5490000000e2  1.0198000000e2 28.200000000000 13.004000000000  3.945000000000  1.598200000000
  0.026075563333  0.034625640000  0.065099591333  0.109889046667  0.139658300000  0.232616853333  0.326080240000  0.318333720000  0.578183660000  0.113684526667  0.055752858000
M2
  0
COREREP
 1.0
PROJOP
    2
   22    4
  1.6680773000e3  2.4312618000e2 45.757838000000  7.006272600000
   16598539.00000000
    2571618.50000000
     618919.41000000
     166285.03000000
      49005.43000000
      15527.55600000
       5380.54480000
       2058.05050000
        847.32797000
        368.64912000
        165.47462000
         75.27978900
         34.75743000
         15.88153200
          7.32580190
          3.44873850
          1.57591690
          0.69925083
          0.30190200
          0.12316796
        624.39088e-4
        298.70488e-4
  0.000006412459 -0.000002057870  0.000000882482 -0.000000360144
  0.000045163536 -0.000014484591  0.000006216621 -0.000002532960
  0.000234370880 -0.000075262113  0.000032266061 -0.000013176335
  0.001125888600 -0.000361514460  0.000155210500 -0.000063222828
  0.004820262000 -0.001554849400  0.000666926460 -0.000272430400
  0.018571048000 -0.006044192900  0.002600156100 -0.001059236700
  0.059536357000 -0.019960725000  0.008604505300 -0.003520310800
  0.154753400000 -0.055421294000  0.024172457000 -0.009861687700
  0.306656260000 -0.128198620000  0.056953264000 -0.023481217000
  0.381545030000 -0.215605650000  0.100820920000 -0.041512996000
  0.201557530000 -0.159468860000  0.080331826000 -0.034652930000
  0.017841729000  0.309279560000 -0.192432540000  0.086559641000
  0.002463786300  0.659687160000 -0.614163210000  0.285837690000
 -0.001703692700  0.230273620000 -0.155107230000  0.093464783000
  0.001149584500  0.002216839000  0.856151630000 -0.662436440000
 -0.000798390270  0.004205987500  0.456479860000 -0.564426000000
  0.000482737280 -0.002151876600  0.012169409000  0.703708880000
 -0.000276218930  0.001016073000  0.008208552300  0.696148320000
  0.000158977820 -0.000590838530 -0.003472992400  0.084686950000
 -0.000102957520  0.000374435160  0.002345608800  0.003468188200
  0.000060548321 -0.000221346070 -0.001374449800 -0.002674815500
 -0.000016123966  0.000057375750  0.000366840900  0.000401129690
   14    2
  2.2477114000e2 38.357764000000
      15527.55600000
       5380.54480000
       2058.05050000
        847.32797000
        368.64912000
        165.47462000
         75.27978900
         34.75743000
         15.88153200
          7.32580190
          3.44873850
          1.57591690
          0.69925083
          0.30190200
  0.000317173660 -0.000140831270
  0.001390368400 -0.000618255280
  0.006941566100 -0.003109300500
  0.027063554000 -0.012279216000
  0.089500419000 -0.041882648000
  0.232892430000 -0.114575360000
  0.404946920000 -0.214794850000
  0.335086800000 -0.140417730000
  0.081973313000  0.311279040000
  0.001734388100  0.598318820000
  0.000891747820  0.230562180000
 -0.000391372180  0.014277297000
  0.000109522740  0.001178489800
 -0.000042362662  0.000037048750
   12    1
 24.841250000000
        847.32797000
        368.64912000
        165.47462000
         75.27978900
         34.75743000
         15.88153200
          7.32580190
          3.44873850
          1.57591690
          0.69925083
          0.30190200
          0.12316796
  0.000957104830
  0.003761484000
  0.019849484000
  0.072475271000
  0.207924060000
  0.381742270000
  0.381489130000
  0.157952270000
  0.019645157000
  0.000639028230
  0.000381973440
  0.000062092319
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Pd.NR-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]
********************************************************************************
*core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*PD3D-PDS(A1/71/61)            (911/611/4111)
********************************************************************************
    16.0   2
* s-type functions
   11    1
      12074.02350000
       1824.86209000
        414.46873700
         45.41137770
         22.76116430
          8.90046937
          5.03939108
          1.40763266
       6256.54031e-4
        856.39793e-4
       3205.68077e-5
  0.000680536161
  0.004741851570
  0.015176090400
 -0.062557811700
 -0.037332177800
  0.089068104400
  0.184398393000
 -0.251596734000
 -0.294493680000
  0.617209286000
  0.516777004000
* p-type functions
    8    2
       1038.99255000
        244.60836100
         76.72843670
         12.37730050
          7.25177215
          1.51517525
       5530.99571e-4
          0.07700000
  0.007381628820  0.000000000000
  0.047855080200  0.000000000000
  0.120672939000  0.000000000000
 -0.234282060000  0.000000000000
 -0.265920377000  0.000000000000
  0.710818287000  0.000000000000
  0.419563075000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        135.92725600
         38.98938520
         13.36848150
          1.91682343
       6997.05576e-4
       2233.20204e-4
          0.08380000
 -0.017294535600  0.000000000000
 -0.090342891300  0.000000000000
 -0.170552899000  0.000000000000
  0.402116522000  0.000000000000
  0.512725393000  0.000000000000
  0.286804809000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: PD3D-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.4230000000e5  4.8490000000e4  1.0914000000e4  3.0160000000e3  9.4060000000e2  2.8550000000e2  1.1210000000e2 31.590000000000 14.228000000000  4.382000000000  1.712500000000
  0.024413503750  0.031713438750  0.058970954375  0.100034737500  0.129219012500  0.208296175000  0.315918300000  0.278103250000  0.564673437500  0.109261725000  0.054395471250
M2
  0
COREREP
 1.0
PROJOP
    2
   20    4
  1.7466305000e3  2.5593266000e2 48.417610000000  7.173797600000
    8553762.20000000
    1329108.70000000
     311297.31000000
      83981.60100000
      25203.26700000
       8374.95010000
       3115.80650000
       1269.85650000
        554.16094000
        252.44571000
        115.96035000
         54.03780900
         25.31630200
         11.86137200
          5.64272640
          2.59894680
          1.21015360
          0.56105793
          0.24625856
        958.71659e-4
  0.000015360556 -0.000004936005  0.000002128959 -0.000000874234
  0.000110830280 -0.000035632971  0.000015367289 -0.000006304111
  0.000588727650 -0.000189300350  0.000081660088 -0.000033546549
  0.002758229600 -0.000889305120  0.000383658340 -0.000157359260
  0.011292986000 -0.003663388900  0.001582291200 -0.000650323320
  0.038692403000 -0.012808069000  0.005545208100 -0.002275059100
  0.107410780000 -0.037273366000  0.016252049000 -0.006696550600
  0.235027880000 -0.091058021000  0.040291146000 -0.016580590000
  0.362245730000 -0.175270210000  0.080243655000 -0.033446870000
  0.305472790000 -0.217041770000  0.105736760000 -0.044107960000
  0.083190107000  0.023021899000 -0.013182424000  0.004736825600
  0.000415800680  0.568409780000 -0.426040250000  0.197464230000
  0.001395573900  0.495767800000 -0.554772890000  0.271874100000
 -0.000844998360  0.063023720000  0.359491140000 -0.203999330000
  0.000448134550  0.007223325200  0.853398160000 -0.857782580000
 -0.000275354260 -0.003978693100  0.169311390000 -0.000361716600
  0.000166437160  0.002410478600  0.002445752100  0.869898130000
 -0.000083240021 -0.001365480600  0.000854945270  0.395661760000
  0.000032195515  0.000527923180  0.000367128850  0.038769139000
 -0.000007425340 -0.000123958000 -0.000087021375 -0.000787237140
   15    2
  2.3706180000e2 40.748008000000
      25203.26700000
       8374.95010000
       3115.80650000
       1269.85650000
        554.16094000
        252.44571000
        115.96035000
         54.03780900
         25.31630200
         11.86137200
          5.64272640
          2.59894680
          1.21015360
          0.56105793
          0.24625856
  0.000149325290 -0.000066635822
  0.000738320170 -0.000330773310
  0.003774532200 -0.001694798300
  0.015379030000 -0.006986992000
  0.052305389000 -0.024237548000
  0.150306050000 -0.072611945000
  0.324424110000 -0.166770900000
  0.407526320000 -0.218811850000
  0.204617560000  0.034482602000
  0.021170310000  0.507810940000
  0.002447070100  0.481557100000
 -0.001175791100  0.089359909000
  0.000628419180  0.001829176700
 -0.000334125990  0.000778981440
  0.000084688559  0.000089881745
   13    1
 26.726396000000
       1269.85650000
        554.16094000
        252.44571000
        115.96035000
         54.03780900
         25.31630200
         11.86137200
          5.64272640
          2.59894680
          1.21015360
          0.56105793
          0.24625856
        958.71659e-4
  0.000447308170
  0.001784098000
  0.009611893200
  0.039177935000
  0.127035880000
  0.290565200000
  0.406579560000
  0.291388220000
  0.074138465000
  0.001801869500
  0.001433492300
 -0.000477988570
  0.000142462300
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ag.NR-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]
********************************************************************************
*core[Zn] val[4p,5s,4d]     (911/611*/4111d)=3s3p4d recommended
*AG2S-PDS(A1/71/61)            (911/611/4111)
********************************************************************************
    17.0   2
* s-type functions
   11    1
      12679.23730000
       1909.56677000
        432.65465400
         47.32865850
         20.03921350
          9.50872042
          4.72963636
          1.61145750
       6708.24117e-4
       8645.55862e-5
       3217.30224e-5
  0.000632961523
  0.004435281020
  0.014232467900
 -0.061319777400
 -0.045783917000
  0.123794363000
  0.159286572000
 -0.236407191000
 -0.289952023000
  0.605896529000
  0.521780889000
* p-type functions
    8    2
       1090.22871000
        256.76349700
         80.60839220
         13.07359390
          7.76038123
          1.62747162
       5944.36876e-4
          0.07800000
  0.007488907640  0.000000000000
  0.048657463000  0.000000000000
  0.123047917000  0.000000000000
 -0.236803018000  0.000000000000
 -0.269525158000  0.000000000000
  0.714178036000  0.000000000000
  0.417088205000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    7    2
        145.46749100
         41.78638660
         14.37589100
          2.08684085
       7657.90211e-4
       2459.88732e-4
          0.08660000
 -0.017398965900  0.000000000000
 -0.091952366800  0.000000000000
 -0.175645594000  0.000000000000
  0.408641278000  0.000000000000
  0.510839725000  0.000000000000
  0.279312386000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: AG2S-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.4330000000e5  4.8850000000e4  1.1005000000e4  3.0540000000e3  9.5080000000e2  2.8870000000e2  1.1476000000e2 31.970000000000 14.789000000000  4.449000000000  1.825000000000
  0.023496356471  0.030471517059  0.056594847059  0.095527017647  0.122987811765  0.201670388235  0.293014605882  0.276286794118  0.517165700000  0.099193935294  0.048296904706
M2
  0
COREREP
 1.0
PROJOP
    2
   22    4
  1.8276694000e3  2.6975564000e2 51.834208000000  8.001443000000
   16271074.00000000
    2574088.20000000
     642468.22000000
     180895.52000000
      55389.49500000
      17810.53000000
       6159.59530000
       2326.68150000
        944.32493000
        406.70812000
        181.85050000
         82.89621500
         38.44474200
         17.69431500
          8.23475120
          3.89558410
          1.79730110
          0.80439550
          0.35269722
          0.14710100
        706.48165e-4
        310.81818e-4
  0.000007284020 -0.000002345389  0.000001016588 -0.000000423434
  0.000049435340 -0.000015908756  0.000006900833 -0.000002869213
  0.000241400570 -0.000077780725  0.000033703886 -0.000014049704
  0.001088199100 -0.000350598910  0.000152136990 -0.000063229834
  0.004513131200 -0.001460411000  0.000633143490 -0.000264009150
  0.017395507000 -0.005677167300  0.002468083400 -0.001025958300
  0.056810512000 -0.019072510000  0.008309192100 -0.003469719500
  0.151814290000 -0.054373688000  0.023956984000 -0.009974615500
  0.307118610000 -0.128205740000  0.057569097000 -0.024227715000
  0.385403160000 -0.217721970000  0.102881350000 -0.043246523000
  0.203859180000 -0.161758080000  0.082580474000 -0.036431868000
  0.018261160000  0.305551870000 -0.193115700000  0.089058402000
  0.002502324200  0.658187410000 -0.619712760000  0.295188770000
 -0.001746740200  0.235481090000 -0.168517200000  0.105259060000
  0.001185905800  0.002864323200  0.863553480000 -0.697668660000
 -0.000825099210  0.004120164200  0.461158870000 -0.564727020000
  0.000502642780 -0.002163354200  0.011719214000  0.723153310000
 -0.000288139860  0.001015593300  0.009099105200  0.682643070000
  0.000163747680 -0.000584943720 -0.003815242400  0.090433999000
 -0.000096009776  0.000335898660  0.002335874600  0.001790329800
  0.000049787058 -0.000173391800 -0.001210018700 -0.000564696730
 -0.000012610805  0.000043952145  0.000303976870  0.000393805420
   14    2
  2.5036188000e2 43.889390000000
      17810.53000000
       6159.59530000
       2326.68150000
        944.32493000
        406.70812000
        181.85050000
         82.89621500
         38.44474200
         17.69431500
          8.23475120
          3.89558410
          1.79730110
          0.80439550
          0.35269722
  0.000292013930 -0.000131394130
  0.001300539800 -0.000586248240
  0.006688774700 -0.003035641500
  0.026768638000 -0.012311972000
  0.089660788000 -0.042534173000
  0.233259200000 -0.116491280000
  0.403715770000 -0.217382820000
  0.334541800000 -0.142476540000
  0.083083681000  0.311597300000
  0.001852720600  0.601305750000
  0.000824512750  0.227858750000
 -0.000396596680  0.013711070000
  0.000099561189  0.001490362400
 -0.000042287768  0.000021478106
   12    1
 29.355002000000
        944.32493000
        406.70812000
        181.85050000
         82.89621500
         38.44474200
         17.69431500
          8.23475120
          3.89558410
          1.79730110
          0.80439550
          0.35269722
          0.14710100
  0.000956790460
  0.003906118700
  0.020460897000
  0.074589853000
  0.211915360000
  0.385267220000
  0.378237080000
  0.148852660000
  0.016533488000
  0.000493411960
  0.000040498283
  0.000001038051
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Cd.NR-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]
********************************************************************************
*core[Zn] val[4p,5s,4d]     (911/611*/411)=3s3p4d recommended
*CD1S-PDS(A1/71/6)             (911/611/411)
********************************************************************************
    18.0   2
* s-type functions
   11    1
      13249.28010000
       1996.71404000
        453.21056100
         48.73947130
         19.82451130
          9.97021007
          4.73431548
          2.08605049
       8431.96214e-4
       1097.49937e-4
       4017.80358e-5
  0.000732950945
  0.005130349230
  0.016491319000
 -0.074540269500
 -0.053139941300
  0.154029247000
  0.204383577000
 -0.226159115000
 -0.399860309000
  0.662392048000
  0.483734445000
* p-type functions
    8    2
       1144.35549000
        269.50551800
         84.65967820
         13.66779090
          8.16246176
          1.75833755
       6552.34106e-4
          0.09900000
  0.007631801310  0.000000000000
  0.049733058700  0.000000000000
  0.126263233000  0.000000000000
 -0.250900521000  0.000000000000
 -0.266943020000  0.000000000000
  0.718805479000  0.000000000000
  0.413059143000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    6    1
        154.47288600
         44.45838340
         15.36366790
          2.29592179
       8725.49161e-4
          0.29718579
 -0.018231416900
 -0.096985290400
 -0.186039438000
  0.417869295000
  0.510487058000
  0.251385963000
********************************************************************************
* Core AIMP: CD1S-3D
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 11
  3.5580000000e5  5.1680000000e4  1.1833000000e4  3.3090000000e3  1.0409000000e3  3.1850000000e2  1.2560000000e2 36.440000000000 16.346000000000  5.162000000000  2.051600000000
  0.022219702778  0.028330027222  0.052325944444  0.088467033333  0.114663705556  0.182274327778  0.282067438889  0.233995683333  0.514003594444  0.097153105556  0.051166098333
M2
  0
COREREP
 1.0
PROJOP
    2
   22    4
  1.9106292000e3  2.8401280000e2 55.416222000000  8.900003200000
   17375361.00000000
    2769580.90000000
     694752.66000000
     197949.10000000
      60940.56400000
      19666.01300000
       6805.40180000
       2565.50480000
       1040.54110000
        448.34766000
        201.39938000
         92.38481000
         43.08752300
         19.97539700
          9.37129460
          4.50799880
          2.08592340
          0.93962278
          0.41731877
          0.17904722
          0.08615444
        384.78511e-4
  0.000007039607 -0.000002270370  0.000000989053 -0.000000418007
  0.000047522818 -0.000015316952  0.000006677686 -0.000002818461
  0.000228723190 -0.000073817580  0.000032148365 -0.000013595225
  0.001018096700 -0.000328491880  0.000143263820 -0.000060449179
  0.004210358000 -0.001364387100  0.000594492330 -0.000251464860
  0.016191220000 -0.005288106500  0.002310323500 -0.000975054130
  0.053228865000 -0.017859987000  0.007818263600 -0.003311195900
  0.143765010000 -0.051282407000  0.022692550000 -0.009594351700
  0.295997610000 -0.122188570000  0.055052382000 -0.023482234000
  0.385767150000 -0.212625100000  0.100598510000 -0.042971481000
  0.220867400000 -0.176513290000  0.089971494000 -0.039911646000
  0.025447944000  0.252646960000 -0.157051860000  0.073030357000
  0.002005043300  0.659177990000 -0.600904260000  0.290269150000
 -0.001378862600  0.281476860000 -0.266230950000  0.156192130000
  0.000971559440  0.005771721700  0.802970110000 -0.627716220000
 -0.000700068760  0.005936936100  0.545722220000 -0.679072220000
  0.000425273050 -0.003250227100  0.028736127000  0.631647440000
 -0.000247263900  0.001673846000  0.008698296200  0.762233880000
  0.000144525120 -0.000995925090 -0.003729193500  0.111682100000
 -0.000085049059  0.000580445300  0.002389727900  0.003691339000
  0.000043157211 -0.000294326170 -0.001221289200 -0.001944404000
 -0.000010940962  0.000074613071  0.000311924450  0.000598649040
   14    2
  2.6409310000e2 47.193412000000
      19666.01300000
       6805.40180000
       2565.50480000
       1040.54110000
        448.34766000
        201.39938000
         92.38481000
         43.08752300
         19.97539700
          9.37129460
          4.50799880
          2.08592340
          0.93962278
          0.41731877
  0.000264830840 -0.000119843630
  0.001184044000 -0.000537335160
  0.006119355500 -0.002792008100
  0.024645751000 -0.011399709000
  0.083052471000 -0.039539075000
  0.218253350000 -0.109296900000
  0.391522850000 -0.211050660000
  0.351678960000 -0.164402780000
  0.100961530000  0.261619190000
  0.002833275400  0.600905030000
  0.001273046100  0.270682940000
 -0.000627229030  0.022465756000
  0.000195150460  0.001166571000
 -0.000072001391  0.000128939850
   12    1
 32.142942000000
       1040.54110000
        448.34766000
        201.39938000
         92.38481000
         43.08752300
         19.97539700
          9.37129460
          4.50799880
          2.08592340
          0.93962278
          0.41731877
          0.17904722
  0.000867198060
  0.003544928500
  0.018523117000
  0.068155242000
  0.197718690000
  0.372946900000
  0.386005050000
  0.168021390000
  0.023129932000
 -0.000117850020
  0.000379662640
 -0.000106741370
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

********************************************************************************
*         C.2.2.3. 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.NR-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]
********************************************************************************
*core[Cd] val[5p,6s,5d]     SO-corrected (11,1,1/811*/611d)=3s3p3d recommended
*LA2D-PDS(A3/91/71)            (A111/811/611)
********************************************************************************
     9.0   2
* s-type functions
   13    1
      18807.37490000
       2835.61719000
        643.85885200
         75.12666870
         47.36632780
         12.83186450
          8.81510288
          3.90301672
          1.87018893
       6996.00031e-4
       2910.56738e-4
       4501.44728e-5
       1919.56157e-5
 -0.000404636699
 -0.002844464560
 -0.009254531260
  0.031097037600
  0.026534547500
 -0.081363240600
 -0.098391626700
  0.071295902000
  0.334217534000
 -0.169963665000
 -0.587020069000
  0.777411024000
  0.414347428000
* p-type functions
   10    2
       1694.23712000
        399.57947400
        126.33307600
         19.81194150
         10.21433640
          4.86200462
          2.52125835
       5022.41603e-4
       1966.43343e-4
          0.03800000
 -0.003241832030  0.000000000000
 -0.021612033500  0.000000000000
 -0.056834766300  0.000000000000
  0.167149608000  0.000000000000
  0.107370444000  0.000000000000
 -0.173256186000  0.000000000000
 -0.427606806000  0.000000000000
  0.737365747000  0.000000000000
  0.401969051000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    8    2
        254.51586200
         74.15145850
         26.44573180
          5.55415437
          2.94282475
       4079.87806e-4
       1220.17718e-4
          0.03650000
  0.005663354260  0.000000000000
  0.032237016900  0.000000000000
  0.065354272000  0.000000000000
 -0.081198627600  0.000000000000
 -0.175986799000  0.000000000000
  0.557274385000  0.000000000000
  0.579287774000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: LA(2D)-[CD]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.3477400000e5  7.1881000000e4  1.7931900000e4  5.2873700000e3  1.7338800000e3  5.5725200000e2  2.1329810000e2 75.062320000000 31.013310000000  6.133752000000  3.901265000000
  1.477410000000  0.643448400000
  0.052143868889  0.059714054444  0.107279457778  0.180013622222  0.246452788889  0.359685222222  0.646293644444  0.421803188889  1.365034666667  0.672941466667  0.889526711111
  0.239968277778  0.092476377778
M2
  0
COREREP
 1.0
PROJOP
    2
   15    5
  2.7445606000e3  4.3255400000e2 95.688826000000 20.691074000000  3.408859000000
      72910.75100000
      13350.44900000
       3722.32900000
       1273.58010000
        494.91157000
        207.30058000
         89.57990900
         41.57368100
         15.88857300
          8.32179960
          3.36107250
          1.72929630
          0.63529249
          0.34909000
          0.16664000
  0.009399356400  0.003126400100  0.001380693300  0.000663028060  0.000268894080
  0.050780497000  0.016850666000  0.007804186700  0.003612507300  0.001444022000
  0.172642380000  0.062970418000  0.028359732000  0.013590553000  0.005504641200
  0.374803610000  0.160570720000  0.077220568000  0.036083962000  0.014456929000
  0.405472400000  0.263328720000  0.128525270000  0.063272371000  0.025807675000
  0.131592200000  0.044720685000  0.033312077000  0.013565773000  0.005057710200
  0.001311056500 -0.560965050000 -0.462934900000 -0.240214130000 -0.098356346000
  0.001714380100 -0.536821690000 -0.569812910000 -0.349404970000 -0.150139640000
 -0.001102514900 -0.077774151000  0.591501190000  0.542530030000  0.256211930000
  0.000741902290  0.018088640000  0.712592460000  0.877261770000  0.435835740000
 -0.000423075740 -0.007215790500  0.091041976000 -0.656390450000 -0.441712950000
  0.000273115370  0.004336230000 -0.014191483000 -0.802636530000 -0.850071760000
 -0.000152072180 -0.002256751100  0.005820098300 -0.072235790000  0.385807960000
  0.000097694536  0.001422682000 -0.003549550700  0.014404228000  0.827098730000
 -0.000023696772 -0.000342852680  0.000779277420 -0.002808481000  0.202516780000
   12    3
  4.0781480000e2 84.918298000000 16.517816000000
       6412.51360000
       1668.02300000
        593.23481000
        245.97436000
        111.74324000
         53.74692100
         25.94435600
         13.22194100
          6.78883210
          3.46451600
          1.75849030
          0.81840000
  0.004102459700  0.001964119800  0.000909496380
  0.027310440000  0.013153913000  0.006059681400
  0.107780660000  0.054237278000  0.025327385000
  0.273826070000  0.145883030000  0.068729633000
  0.408907660000  0.236992160000  0.114429760000
  0.288748390000  0.098695144000  0.037054987000
  0.066758955000 -0.353026780000 -0.240016280000
  0.000327232610 -0.554989000000 -0.431896740000
  0.001142088800 -0.217234550000  0.028685295000
 -0.000661772580 -0.018530621000  0.618419900000
  0.000181775420 -0.001427346600  0.458980620000
 -0.000049536794  0.000160071980  0.065627917000
   10    2
 65.107231000000  9.107182200000
        705.68140000
        224.29440000
         90.99106100
         41.38768000
         19.94048600
          9.99743330
          5.02183130
          2.50655500
          1.22628000
          0.54569000
  0.005922584000  0.002723380800
  0.040921933000  0.018723073000
  0.148553650000  0.070178770000
  0.320803980000  0.150588870000
  0.404743510000  0.177715770000
  0.246036250000 -0.015555488000
  0.054698198000 -0.363573830000
  0.002372087700 -0.477092500000
  0.000115999220 -0.240168760000
 -0.000074030549 -0.034678961000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Hf.NR-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]
********************************************************************************
*core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*HF3F-PDS(A3/91/81/5)          (A111/811/6111/41)
********************************************************************************
    10.0   3
* s-type functions
   13    1
     121155.58900000
      17308.86270000
       3731.48136000
        980.96774000
        118.53778800
         61.27985520
         27.29654440
         17.44408940
          4.07275372
         14.74093580
       5548.65478e-4
       5891.64519e-5
       2315.70169e-5
 -0.000072368250
 -0.000590994295
 -0.002979304450
 -0.008652431710
  0.040240678700
  0.021454050300
 -0.045583628000
 -0.137990784000
  0.284851802000
  0.029210142800
 -0.590676732000
  0.829274650000
  0.312822268000
* p-type functions
   10    2
       2863.05677000
        671.13567600
        211.85563100
         37.29274680
         19.57814320
         14.33163340
          5.09724321
       8576.47221e-4
       3215.27679e-4
          0.05900000
 -0.003120025210  0.000000000000
 -0.021592705300  0.000000000000
 -0.058747360000  0.000000000000
  0.133510060000  0.000000000000
  0.228536528000  0.000000000000
 -0.183469209000  0.000000000000
 -0.462913556000  0.000000000000
  0.716478542000  0.000000000000
  0.409333268000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        483.28418600
        141.83620600
         51.61148430
          9.57143350
          4.78109020
       9817.82017e-4
       3616.26009e-4
       1188.06901e-4
          0.03250000
  0.004400912110  0.000000000000
  0.027177517300  0.000000000000
  0.060030655000  0.000000000000
 -0.116216427000  0.000000000000
 -0.115481843000  0.000000000000
  0.322827154000  0.000000000000
  0.539509398000  0.000000000000
  0.344997267000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         51.28504200
         16.31693600
          5.94986720
          2.16075400
          0.71386200
  0.102325850000
  0.338845810000
  0.471265780000
  0.351983520000
  0.123604200000
********************************************************************************
* Core AIMP: HF(3F)-[CD]4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.1489542000e5  1.4475370000e5  4.7853448000e4  1.7391896000e4  6.7723782000e3  2.7691449000e3  1.1216798000e3  4.8326732000e2  2.3711535000e2 85.304384000000 49.754971000000
 11.080506000000  5.749733000000  2.213112000000  0.968207000000
  0.050480584000  0.041068603000  0.065370375000  0.103543720000  0.154703340000  0.197948110000  0.256411260000  0.469374610000  0.440842160000  0.622887710000  1.019925600000
  1.329359900000  0.992946090000  0.368499240000  0.086638621000
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  4.4636222000e3  7.3865960000e2  1.7082395000e2 35.595453000000  5.038839900000
     121690.75000000
      22239.44800000
       6193.62900000
       2121.58010000
        828.92157000
        354.59058000
        150.45991000
         70.69068100
         27.55257300
         14.59480000
          6.05027250
          3.01709630
          1.05029250
          0.55501000
          0.25836000
  0.008910701300  0.003014261600  0.001379487200  0.000682361830  0.000262216620
  0.048414279000  0.016270254000  0.007822215200  0.003728580200  0.001428239300
  0.165743230000  0.061301448000  0.028625747000  0.014133291000  0.005432629400
  0.365078220000  0.157215430000  0.078543587000  0.037823549000  0.014518648000
  0.407623360000  0.264955020000  0.134284410000  0.068223887000  0.026368576000
  0.145481040000  0.065376072000  0.046606406000  0.020806641000  0.007961464100
  0.005089687800 -0.544884890000 -0.474274910000 -0.256660580000 -0.101120490000
  0.000593233810 -0.557107720000 -0.616643670000 -0.396946840000 -0.162016450000
 -0.000474156930 -0.084713812000  0.626110570000  0.641444560000  0.289346150000
  0.000295455640  0.020022497000  0.708867790000  0.861446430000  0.408580870000
 -0.000150284990 -0.007438870500  0.085723484000 -0.734041660000 -0.476841900000
  0.000089079046  0.003961095000 -0.010653194000 -0.764228020000 -0.759810870000
 -0.000046063765 -0.001928140500  0.004228834400 -0.060382328000  0.433822140000
  0.000029424410  0.001217048800 -0.002579331100  0.012887774000  0.766677300000
 -0.000007474054 -0.000306502210  0.000599416930 -0.002622224200  0.183587310000
   12    3
  7.0595202000e2  1.5570501000e2 29.243990000000
      11449.51400000
       2971.23300000
       1053.56480000
        436.00336000
        198.05324000
         95.50692100
         46.42935600
         23.94494100
         12.36973200
          6.30911600
          3.17221030
          1.45861000
  0.003485935500  0.001748173400  0.000838963600
  0.023666440000  0.011924687000  0.005706765900
  0.096297067000  0.050667973000  0.024552530000
  0.255830710000  0.142616250000  0.069926825000
  0.405546880000  0.247286830000  0.124373110000
  0.310537120000  0.128831100000  0.054769771000
  0.078502149000 -0.346844540000 -0.257857500000
  0.000255567240 -0.568569190000 -0.461738060000
  0.001433297000 -0.220241040000  0.059731658000
 -0.000754010820 -0.018485204000  0.634083980000
  0.000234197310 -0.001506536200  0.438447120000
 -0.000057694837  0.000075877097  0.059552387000
   10    2
  1.2789777000e2 17.762127000000
       1244.68140000
        396.30439000
        161.67106000
         74.19268000
         36.25648600
         18.40243300
          9.34533130
          4.68465500
          2.28718000
          0.99858000
  0.005611745000  0.002765263900
  0.039840598000  0.019664422000
  0.148945250000  0.075860009000
  0.328021310000  0.167473580000
  0.407679630000  0.188786920000
  0.233159640000 -0.048755176000
  0.047917463000 -0.398640580000
  0.002863595200 -0.458661510000
  0.000430513430 -0.211137980000
  0.000041058538 -0.027460291000
    5    1
  2.860538700000
         51.28504200
         16.31693600
          5.94986720
          2.16075400
          0.71386200
  0.102325850000
  0.338845810000
  0.471265780000
  0.351983520000
  0.123604200000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ta.NR-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]
********************************************************************************
*core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*TA4F-PDS(A3/91/81/5)          (A111/811/6111/41)
********************************************************************************
    11.0   3
* s-type functions
   13    1
     134694.97100000
      18502.44950000
       3898.18156000
       1018.25962000
        122.18574500
         63.78845400
         27.70695340
         17.59543250
          4.24582926
         14.85900260
       6026.19075e-4
       6397.65627e-5
       2499.13077e-5
 -0.000068890522
 -0.000591889969
 -0.003056673410
 -0.008961664480
  0.041253276000
  0.022605628700
 -0.053434227000
 -0.141116017000
  0.297237979000
  0.033944247700
 -0.597685724000
  0.815219566000
  0.327386116000
* p-type functions
   10    2
       2985.00991000
        696.80658200
        219.31695800
         37.81275590
         19.69723540
         14.45378900
          5.29569310
       9185.10879e-4
       3468.21028e-4
          0.06500000
 -0.003155816820  0.000000000000
 -0.022072646700  0.000000000000
 -0.060632683800  0.000000000000
  0.147546070000  0.000000000000
  0.222528008000  0.000000000000
 -0.188361645000  0.000000000000
 -0.475615648000  0.000000000000
  0.726130038000  0.000000000000
  0.403094003000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        499.48883900
        146.73680100
         53.50456310
          9.95263761
          4.95882042
          1.08510785
       4137.39598e-4
       1394.30591e-4
          0.03950000
  0.004777096070  0.000000000000
  0.029530930200  0.000000000000
  0.065263021200  0.000000000000
 -0.127913806000  0.000000000000
 -0.124682553000  0.000000000000
  0.332028314000  0.000000000000
  0.541409254000  0.000000000000
  0.325039447000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         56.09724200
         17.98793600
          6.64765720
          2.46171400
          0.83318200
  0.096133784000
  0.328803620000
  0.471631990000
  0.356981000000
  0.121656900000
********************************************************************************
* Core AIMP: TA(4F)-[CD]4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.4591407000e5  1.5368567000e5  5.1210313000e4  1.8723124000e4  7.3347337000e3  3.0089014000e3  1.2211458000e3  5.2050413000e2  2.5398074000e2 90.935984000000 52.177565000000
 11.603708000000  6.121943700000  2.397751100000  1.061998400000
  0.045435094545  0.036557337273  0.058023078182  0.091585300000  0.137163227273  0.178310200000  0.227748218182  0.416625290909  0.420007863636  0.538616472727  0.965341000000
  1.200524545455  0.916279272727  0.326845900000  0.077300840000
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  4.5936844000e3  7.6258470000e2  1.7725763000e2 37.368930000000  5.440783600000
     127918.91000000
      23375.84400000
       6505.71340000
       2227.88740000
        871.48717000
        375.15882000
        156.57626000
         73.45756200
         28.59353400
         15.18252700
          6.31197010
          3.16969500
          1.12328450
          0.59489100
          0.27621000
  0.008665284200  0.002936598800  0.001346132900  0.000667705130  0.000261081650
  0.047177545000  0.015842134000  0.007629247000  0.003650874900  0.001424372500
  0.162150960000  0.059955061000  0.028037846000  0.013882103000  0.005430289400
  0.360136790000  0.154194370000  0.077103445000  0.037272454000  0.014571606000
  0.408773890000  0.263528370000  0.133598290000  0.068008921000  0.026744374000
  0.152826460000  0.075035667000  0.051849157000  0.023784142000  0.009315761200
  0.007013681700 -0.537911920000 -0.466742120000 -0.253686150000 -0.101840860000
  0.000008470755 -0.564912710000 -0.627086490000 -0.404030390000 -0.167854120000
 -0.000153378550 -0.087553210000  0.615542640000  0.633091950000  0.291052450000
  0.000071932025  0.020936372000  0.716995150000  0.875755320000  0.424385800000
 -0.000032683270 -0.007890077900  0.088792996000 -0.721108910000 -0.479120490000
  0.000022409613  0.004253003700 -0.011240710000 -0.776706840000 -0.791047980000
 -0.000011444915 -0.002070595500  0.004409457300 -0.063127194000  0.443199150000
  0.000007000562  0.001286127300 -0.002645197700  0.012883479000  0.775174960000
 -0.000001775741 -0.000319125210  0.000603596140 -0.002599686600  0.181159620000
   12    3
  7.2933216000e2  1.6183494000e2 30.849166000000
      12027.14500000
       3106.05020000
       1097.88090000
        453.31791000
        205.60217000
         99.08497200
         48.27430000
         24.94092400
         12.91660900
          6.59334450
          3.32481090
          1.53380000
  0.003375664500  0.001695909600  0.000817503990
  0.023142489000  0.011685213000  0.005615248700
  0.094880996000  0.049995494000  0.024330234000
  0.253882260000  0.141777530000  0.069806861000
  0.405428100000  0.247619790000  0.125101000000
  0.312776410000  0.132362740000  0.057006485000
  0.079971386000 -0.341616480000 -0.255576740000
  0.000532615110 -0.569242080000 -0.464943500000
  0.001377257600 -0.224834130000  0.051242406000
 -0.000724258150 -0.019498431000  0.634576310000
  0.000221894020 -0.001470077800  0.443040940000
 -0.000053828226  0.000088627054  0.059775789000
   10    2
  1.3346497000e2 19.040996000000
       1306.05010000
        415.66359000
        169.58260000
         77.89265500
         38.12449700
         19.39499400
          9.87772660
          4.97130400
          2.44210000
          1.07718000
  0.005415917600  0.002688824100
  0.038696533000  0.019240827000
  0.145726340000  0.074768160000
  0.323881370000  0.166758370000
  0.407684390000  0.191463360000
  0.238296280000 -0.040844757000
  0.050716444000 -0.393612460000
  0.003088101700 -0.462456240000
  0.000447376480 -0.215118630000
  0.000029112347 -0.027929346000
    5    1
  3.609370800000
         56.09724200
         17.98793600
          6.64765720
          2.46171400
          0.83318200
  0.096133784000
  0.328803620000
  0.471631990000
  0.356981000000
  0.121656900000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/W.NR-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]
********************************************************************************
*core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*W5D-PDS(A3/91/81/5)           (A111/811/6111/41)
********************************************************************************
    12.0   3
* s-type functions
   13    1
     140517.33300000
      19114.85490000
       4026.94304000
       1043.41359000
        127.52063000
         65.70589850
         28.74723590
         17.98817120
          4.29639916
          5.09081667
       6506.24447e-4
       6848.81341e-5
       2654.08283e-5
 -0.000069886758
 -0.000605423125
 -0.003124597490
 -0.009242799890
  0.040691897700
  0.027273423800
 -0.067792959000
 -0.104468437000
  0.240445922000
  0.071036484400
 -0.601034768000
  0.805086015000
  0.336889322000
* p-type functions
   10    2
       3027.96041000
        711.70209900
        225.28282300
         38.83323180
         20.02065760
         14.54463110
          5.49785470
       9812.90603e-4
       3724.97384e-4
          0.06900000
 -0.003308411950  0.000000000000
 -0.022831138300  0.000000000000
 -0.062227425900  0.000000000000
  0.156657428000  0.000000000000
  0.218610119000  0.000000000000
 -0.191285261000  0.000000000000
 -0.486561647000  0.000000000000
  0.734824031000  0.000000000000
  0.397979191000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        513.98611400
        151.34822400
         55.36231310
         10.40230380
          5.23304335
          1.16849731
       4545.65842e-4
       1562.31388e-4
          0.04630000
  0.005126917470  0.000000000000
  0.031591494200  0.000000000000
  0.069641824600  0.000000000000
 -0.135406286000  0.000000000000
 -0.133325726000  0.000000000000
  0.349165478000  0.000000000000
  0.540473391000  0.000000000000
  0.302586492000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         60.84324200
         19.63993600
          7.33902720
          2.76182400
          0.95306500
  0.091184328000
  0.320481980000
  0.471915390000
  0.361038350000
  0.119828420000
********************************************************************************
* Core AIMP: W(5D)-[CD]4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.2581382000e5  1.5080001000e5  5.0633718000e4  1.8573206000e4  7.2966492000e3  3.0080559000e3  1.2307588000e3  5.3093772000e2  2.6119945000e2 94.551284000000 54.260961000000
 12.095746000000  6.453459000000  2.551240000000  1.140706000000
  0.042916343333  0.034084299167  0.054237223333  0.085537216667  0.127480283333  0.163665783333  0.209332050000  0.381410533333  0.381574866667  0.484431566667  0.895276833333
  1.103648666667  0.845607500000  0.289977708333  0.067485836667
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  4.7256477000e3  7.8691748000e2  1.8383504000e2 39.192662000000  5.842445600000
     134589.84000000
      24532.84800000
       6826.97450000
       2339.96460000
        917.56887000
        398.08461000
        162.64941000
         76.22609900
         29.67434700
         15.79025200
          6.57719760
          3.32788130
          1.20268260
          0.63671000
          0.29492900
  0.008429034600  0.002862742300  0.001314602700  0.000654028740  0.000259843220
  0.046051581000  0.015446969000  0.007450214300  0.003579043400  0.001419947200
  0.158558380000  0.058634840000  0.027460891000  0.013638714000  0.005421411900
  0.354645810000  0.150884750000  0.075510175000  0.036637631000  0.014564997000
  0.409053890000  0.261553280000  0.132615870000  0.067665437000  0.027035374000
  0.161142730000  0.084704784000  0.056941585000  0.026669072000  0.010655533000
  0.009436228900 -0.531304640000 -0.459670940000 -0.250954440000 -0.102488830000
 -0.000820092760 -0.571706270000 -0.636683550000 -0.410873570000 -0.173516520000
  0.000326035010 -0.090152584000  0.604521690000  0.624358980000  0.292107480000
 -0.000272090290  0.021673239000  0.725690430000  0.890550780000  0.440225560000
  0.000155351230 -0.008280725600  0.092056144000 -0.708638800000 -0.481138290000
 -0.000088042929  0.004529175600 -0.011971944000 -0.788302140000 -0.821023840000
  0.000045923546 -0.002198924400  0.004627959500 -0.065863067000  0.449279330000
 -0.000028861400  0.001339320400 -0.002719772600  0.012653362000  0.784782530000
  0.000007085488 -0.000328339070  0.000611067360 -0.002552494000  0.180522590000
   12    3
  7.5311835000e2  1.6810697000e2 32.502414000000
      12646.55800000
       3270.50870000
       1156.76370000
        477.52167000
        216.34673000
        104.13544000
         50.71926600
         26.20374700
         13.58397300
          6.92845180
          3.49941140
          1.61700000
  0.003246122000  0.001633688200  0.000791629740
  0.022256780000  0.011258471000  0.005430486500
  0.091665993000  0.048342819000  0.023633659000
  0.248050250000  0.138565430000  0.068475298000
  0.403474520000  0.246574960000  0.125157500000
  0.319590000000  0.141653580000  0.062610423000
  0.084709619000 -0.328413540000 -0.247245690000
  0.000768256970 -0.573132830000 -0.470935610000
  0.001475060800 -0.234319690000  0.034016706000
 -0.000771887220 -0.021219800000  0.634482170000
  0.000240508040 -0.001444911500  0.451798690000
 -0.000057394694  0.000101144770  0.060947208000
   10    2
  1.3917111000e2 20.363958000000
       1386.13450000
        440.98042000
        179.96798000
         82.72261900
         40.52713200
         20.65358600
         10.54025100
          5.32140600
          2.62829000
          1.17115000
  0.005097493200  0.002550647700
  0.036740064000  0.018396176000
  0.139997910000  0.072345681000
  0.316603400000  0.164400040000
  0.408105530000  0.195285900000
  0.247482470000 -0.027161548000
  0.055472765000 -0.384861370000
  0.003464689200 -0.468609120000
  0.000481723540 -0.222896090000
  0.000016936855 -0.029422081000
    5    1
  4.399319900000
         60.84324200
         19.63993600
          7.33902720
          2.76182400
          0.95306500
  0.091184328000
  0.320481980000
  0.471915390000
  0.361038350000
  0.119828420000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Re.NR-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]
********************************************************************************
*core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*RE6S-PDS(A3/91/81/5)          (A111/811/6111/41)
********************************************************************************
    13.0   3
* s-type functions
   13    1
     147700.60700000
      20305.66090000
       4239.01091000
       1087.81269000
        131.08706500
         69.99728690
         28.62712910
         18.14591850
          4.58830047
          4.93799399
       6956.57624e-4
       7286.36008e-5
       2814.72062e-5
 -0.000068551628
 -0.000591368360
 -0.003122623020
 -0.009439106090
  0.040907334300
  0.026810062300
 -0.076039714600
 -0.098975439500
  0.236532244000
  0.081121013700
 -0.599915246000
  0.788993979000
  0.352137224000
* p-type functions
   10    2
       3105.07733000
        731.08325000
        231.95992400
         39.60897470
         20.16330410
         14.55636440
          5.70593357
          1.04637135
       3989.69901e-4
          0.07300000
 -0.003407400350  0.000000000000
 -0.023439448900  0.000000000000
 -0.063784151300  0.000000000000
  0.168855949000  0.000000000000
  0.210235031000  0.000000000000
 -0.193800918000  0.000000000000
 -0.495976206000  0.000000000000
  0.741625772000  0.000000000000
  0.394802028000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        527.75091900
        155.82060400
         57.20375010
         10.89871850
          5.55390967
          1.24735885
       4934.13313e-4
       1731.54182e-4
          0.05330000
  0.005458339660  0.000000000000
  0.033470770100  0.000000000000
  0.073473337300  0.000000000000
 -0.140393618000  0.000000000000
 -0.141918711000  0.000000000000
  0.367134518000  0.000000000000
  0.537904031000  0.000000000000
  0.280858568000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         65.57774200
         21.29073600
          8.03054720
          3.06337400
          1.07401700
  0.087065954000
  0.313365280000
  0.472160320000
  0.364479920000
  0.118178960000
********************************************************************************
* Core AIMP: RE(6S)-[CD]4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.1273762000e5  1.5064820000e5  5.1463108000e4  1.9176586000e4  7.6130602000e3  3.1540229000e3  1.2944938000e3  5.5706942000e2  2.7362445000e2 99.166284000000 56.490841000000
 12.586936000000  6.778687000000  2.698013000000  1.214611000000
  0.040493603846  0.031546643077  0.049647066154  0.077901138462  0.116256761538  0.150423869231  0.191409484615  0.348192000000  0.359408938462  0.435810400000  0.842286307692
  1.024791538462  0.782999000000  0.258581861538  0.059482250000
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  4.8595029000e3  8.1164840000e2  1.9054605000e2 41.056689000000  6.239491400000
     144516.44000000
      26224.98900000
       7277.47510000
       2491.01180000
        977.93220000
        426.70366000
        169.31991000
         79.20700200
         30.81753200
         16.43529800
          6.85994740
          3.49733250
          1.28773960
          0.68123001
          0.31498000
  0.007995594100  0.002723711400  0.001252519400  0.000625123540  0.000251980670
  0.044034856000  0.014736274000  0.007118505800  0.003433050700  0.001382758600
  0.152769680000  0.056454409000  0.026470992000  0.013187139000  0.005318713000
  0.346491640000  0.145903610000  0.073029497000  0.035567624000  0.014354136000
  0.410322560000  0.258768650000  0.131113770000  0.067014794000  0.027162372000
  0.173880300000  0.098385174000  0.064094524000  0.030672516000  0.012466355000
  0.012577650000 -0.522745560000 -0.450239150000 -0.246906300000 -0.102402460000
 -0.001895192900 -0.580288970000 -0.648289000000 -0.418783810000 -0.179498520000
  0.000959033300 -0.093313890000  0.590814980000  0.612428020000  0.291135510000
 -0.000733437890  0.022546077000  0.736182930000  0.908163060000  0.457125850000
  0.000414512420 -0.008729610300  0.095845704000 -0.693402520000 -0.480153530000
 -0.000244708490  0.004840245000 -0.012748291000 -0.802070430000 -0.851359920000
  0.000126842010 -0.002340437900  0.004851742900 -0.069160136000  0.450107750000
 -0.000077791039  0.001398080400 -0.002792307000  0.012486521000  0.795546150000
  0.000018950391 -0.000339075540  0.000618180380 -0.002528863200  0.182495420000
   12    3
  7.7730113000e2  1.7451103000e2 34.194040000000
      13037.24500000
       3368.59000000
       1190.43630000
        491.22126000
        222.60079000
        107.20757000
         52.27255300
         27.03973400
         14.02928900
          7.16900410
          3.63260200
          1.67920000
  0.003232448400  0.001630156000  0.000793107820
  0.022210673000  0.011257966000  0.005455830300
  0.091650510000  0.048436950000  0.023781885000
  0.248130320000  0.138930440000  0.068985841000
  0.403449200000  0.247165600000  0.126025490000
  0.319466830000  0.141792120000  0.062969879000
  0.084683963000 -0.329198420000 -0.249713720000
  0.000783976580 -0.572903130000 -0.473088380000
  0.001463414500 -0.234065170000  0.035482625000
 -0.000768632150 -0.021126305000  0.638084970000
  0.000239282750 -0.001440733500  0.449836070000
 -0.000055541898  0.000131151950  0.058922224000
   10    2
  1.4500626000e2 21.722021000000
       1490.13560000
        473.57990000
        193.25538000
         88.88950600
         43.59566200
         22.26764700
         11.39993600
          5.78105000
          2.87811000
          1.30679000
  0.004665226600  0.002352707500
  0.034066637000  0.017173635000
  0.131996820000  0.068674562000
  0.305822250000  0.160165380000
  0.407783460000  0.199481010000
  0.260834130000 -0.006724851100
  0.063048712000 -0.368856730000
  0.004193661000 -0.475956510000
  0.000534581570 -0.237517970000
  0.000010857578 -0.033615686000
    5    1
  5.222238600000
         65.57774200
         21.29073600
          8.03054720
          3.06337400
          1.07401700
  0.087065954000
  0.313365280000
  0.472160320000
  0.364479920000
  0.118178960000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Os.NR-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]
********************************************************************************
*core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*OS5D-PDS(A3/91/81/5)          (A111/811/6111/41)
********************************************************************************
    14.0   3
* s-type functions
   13    1
     173593.81700000
      22671.95690000
       4635.66628000
       1143.02872000
        133.69058800
         72.78663430
         29.27108020
         18.43583550
          5.04786028
          4.47822720
       7453.83604e-4
       7764.96491e-5
       2968.97728e-5
 -0.000061270879
 -0.000560320948
 -0.003043738610
 -0.009810014480
  0.042501101300
  0.026081597800
 -0.079497019500
 -0.101466867000
  0.243246713000
  0.085192257900
 -0.603757879000
  0.784665714000
  0.356533014000
* p-type functions
   10    2
       3223.40499000
        758.03626100
        240.23416900
         39.93976140
         20.04477020
         14.50179890
          5.92340939
          1.11372078
       4266.59534e-4
          0.07700000
 -0.003438569740  0.000000000000
 -0.023777860300  0.000000000000
 -0.065358726600  0.000000000000
  0.186263574000  0.000000000000
  0.194744823000  0.000000000000
 -0.194840892000  0.000000000000
 -0.505025351000  0.000000000000
  0.748624325000  0.000000000000
  0.391330085000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        547.74552900
        161.42515700
         59.20076930
         11.46773220
          5.95534990
          1.32141640
       5225.34994e-4
       1827.77221e-4
          0.05700000
  0.005657628310  0.000000000000
  0.035006214900  0.000000000000
  0.077182692800  0.000000000000
 -0.141555829000  0.000000000000
 -0.151412151000  0.000000000000
  0.385865965000  0.000000000000
  0.531564407000  0.000000000000
  0.268859657000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         70.33743300
         22.95527700
          8.73034330
          3.37068000
          1.19896000
  0.083542409000
  0.307061590000
  0.472243720000
  0.367539570000
  0.116688780000
********************************************************************************
* Core AIMP: OS(5D)-[CD]4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.6691462000e5  1.6197220000e5  5.4758308000e4  2.0220786000e4  8.0013402000e3  3.3188129000e3  1.3649938000e3  5.8462142000e2  2.8615345000e2  1.0372028000e2 58.715441000000
 13.080836000000  7.110657000000  2.846423000000  1.289441000000
  0.036755236429  0.028942775714  0.045872005714  0.072001828571  0.107225085714  0.139090957143  0.176228071429  0.320315850000  0.340606028571  0.396357807143  0.794206214286
  0.958008428571  0.727323714286  0.232566050000  0.053071350000
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  4.9952926000e3  8.3681991000e2  1.9743119000e2 43.000781000000  6.667274900000
     155332.32000000
      28116.84800000
       7780.03540000
       2658.04710000
       1043.63900000
        456.17134000
        176.43262000
         82.41185200
         31.96126400
         17.10114400
          7.14033290
          3.66972780
          1.37494820
          0.72627744
          0.33467120
  0.007560437400  0.002582521000  0.001188833000  0.000595387980  0.000243386920
  0.041917478000  0.013997791000  0.006773588500  0.003279021800  0.001340327700
  0.146706110000  0.054149175000  0.025413731000  0.012701174000  0.005195548300
  0.337839830000  0.140813270000  0.070493970000  0.034459912000  0.014112703000
  0.411786810000  0.255648080000  0.129410880000  0.066267947000  0.027236340000
  0.187376770000  0.112426440000  0.071518178000  0.034791829000  0.014369336000
  0.015590690000 -0.512173180000 -0.439222480000 -0.241824890000 -0.101808450000
 -0.002903820000 -0.590192140000 -0.660263510000 -0.426899760000 -0.185618240000
  0.001566388100 -0.097336903000  0.575910520000  0.600023250000  0.289750660000
 -0.001185984100  0.023936518000  0.746669230000  0.924797580000  0.473777990000
  0.000676228730 -0.009399798000  0.099899118000 -0.679313420000 -0.480114650000
 -0.000408380600  0.005289894500 -0.013776061000 -0.814131200000 -0.880596390000
  0.000210408460 -0.002543693200  0.005153433200 -0.072257738000  0.453498780000
 -0.000126360940  0.001489041400 -0.002901085200  0.012242442000  0.806449040000
  0.000030462100 -0.000357004000  0.000633114500 -0.002493538800  0.181987330000
   12    3
  8.0192300000e2  1.8108774000e2 35.963810000000
      14197.90800000
       3650.06860000
       1284.88870000
        528.24089000
        238.37934000
        114.34680000
         55.70501700
         28.75951000
         14.91884000
          7.59955980
          3.84923250
          1.77862200
  0.002935491500  0.001481807100  0.000725318210
  0.020447648000  0.010379911000  0.005046605200
  0.085737016000  0.045275366000  0.022333296000
  0.237704380000  0.132895730000  0.066185902000
  0.400114430000  0.244693610000  0.125330880000
  0.331636770000  0.157885470000  0.072636052000
  0.093335388000 -0.304593770000 -0.232567460000
  0.001498220500 -0.579617100000 -0.481576640000
  0.001540615200 -0.251277970000  0.004322499200
 -0.000804830920 -0.024244414000  0.635845220000
  0.000252634970 -0.001410912100  0.465782330000
 -0.000058017440  0.000137296240  0.061843285000
   10    2
  1.5101120000e2 23.154894000000
       1480.46770000
        472.13732000
        193.19204000
         89.03587300
         43.74245100
         22.35557000
         11.45151900
          5.81835910
          2.89844030
          1.30009000
  0.005026096200  0.002552059000
  0.036159764000  0.018384469000
  0.137999570000  0.072400546000
  0.313717340000  0.165584250000
  0.407638190000  0.198660100000
  0.250426100000 -0.023401219000
  0.057379078000 -0.384888370000
  0.003615943500 -0.471892180000
  0.000472995710 -0.220212610000
 -0.000004652394 -0.027434271000
    5    1
  6.118492100000
         70.33743300
         22.95527700
          8.73034330
          3.37068000
          1.19896000
  0.083542409000
  0.307061590000
  0.472243720000
  0.367539570000
  0.116688780000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Ir.NR-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]
********************************************************************************
*core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*IR4F-PDS(A3/91/81/5)          (A111/811/6111/41)
********************************************************************************
    15.0   3
* s-type functions
   13    1
     199643.08400000
      23641.74680000
       4683.55213000
       1166.33580000
        136.77392400
         86.46513320
         27.42890220
         20.47501080
          5.07745574
          4.92674447
       7961.65358e-4
       8184.00591e-5
       3103.71599e-5
 -0.000056372977
 -0.000573265047
 -0.003162213820
 -0.009895428960
  0.041889621700
  0.021905010900
 -0.072170984600
 -0.102790181000
  0.277158522000
  0.054790798500
 -0.604441306000
  0.779330167000
  0.360659414000
* p-type functions
   10    2
       3284.96235000
        774.68894200
        246.36681900
         41.05103220
         20.35502980
         14.26061980
          6.13431288
          1.18259284
       4542.16773e-4
          0.08100000
 -0.003562457740  0.000000000000
 -0.024479068100  0.000000000000
 -0.066832961000  0.000000000000
  0.195452870000  0.000000000000
  0.179336578000  0.000000000000
 -0.190344157000  0.000000000000
 -0.510533303000  0.000000000000
  0.755372357000  0.000000000000
  0.388287410000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        561.21968400
        166.00986700
         61.14641450
         11.92030960
          6.24360715
          1.41389987
       5618.09481e-4
       1968.91312e-4
          0.06170000
  0.005958617020  0.000000000000
  0.036599549200  0.000000000000
  0.080374625500  0.000000000000
 -0.147544411000  0.000000000000
 -0.156862334000  0.000000000000
  0.396295197000  0.000000000000
  0.528522448000  0.000000000000
  0.260912313000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         75.09387300
         24.62158500
          9.43189230
          3.68003900
          1.32509300
  0.080556275000
  0.301622350000
  0.472334480000
  0.370119610000
  0.115270440000
********************************************************************************
* Core AIMP: IR(4F)-[CD]4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.5650062000e5  1.6351020000e5  5.6482908000e4  2.1223686000e4  8.4670602000e3  3.5284729000e3  1.4602138000e3  6.2281742000e2  3.0330745000e2  1.1018528000e2 61.302841000000
 13.651836000000  7.526867000000  3.030033000000  1.372691000000
  0.034908554667  0.026808369333  0.041950751333  0.065738864000  0.098426113333  0.128515826667  0.161326400000  0.292136553333  0.328272486667  0.353970833333  0.763364200000
  0.887008200000  0.687998666667  0.213602526667  0.049304985333
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  5.1329696000e3  8.6238447000e2  2.0444364000e2 44.978909000000  7.089651500000
     161648.32000000
      29280.20100000
       8098.91310000
       2767.75160000
       1087.35050000
        475.48780000
        182.22497000
         85.13230400
         33.11569400
         17.74693000
          7.42515530
          3.84466770
          1.46522820
          0.77178005
          0.35474997
  0.007426167500  0.002539954100  0.001171604300  0.000588571000  0.000243595390
  0.041219102000  0.013762062000  0.006666531600  0.003240284900  0.001342563300
  0.144544160000  0.053353533000  0.025085186000  0.012576822000  0.005209639000
  0.334356060000  0.138928290000  0.069592422000  0.034155320000  0.014178161000
  0.412067240000  0.254386540000  0.128948890000  0.066207556000  0.027551992000
  0.192648580000  0.117773740000  0.074263841000  0.036447747000  0.015281485000
  0.016795145000 -0.508060370000 -0.435364870000 -0.240795630000 -0.102801420000
 -0.003333842000 -0.593601590000 -0.666205650000 -0.432085820000 -0.190360570000
  0.001839246700 -0.099044234000  0.566186730000  0.592586340000  0.290152270000
 -0.001392940900  0.024218670000  0.754475820000  0.939012740000  0.489165440000
  0.000804454860 -0.009615878200  0.103188780000 -0.667766910000 -0.481288340000
 -0.000493439590  0.005479730200 -0.014570713000 -0.824742400000 -0.907573970000
  0.000252359310 -0.002613845200  0.005358257200 -0.075086178000  0.456891550000
 -0.000148453710  0.001497634000 -0.002950107200  0.011846246000  0.816123960000
  0.000035500772 -0.000356024480  0.000636049820 -0.002444283700  0.182096680000
   12    3
  8.2693649000e2  1.8779027000e2 37.766044000000
      13989.03900000
       3602.16460000
       1269.76060000
        523.18958000
        236.99839000
        114.19725000
         55.78605700
         28.92167500
         15.03802600
          7.69806900
          3.91950490
          1.80816000
  0.003150438500  0.001594769400  0.000782742850
  0.021815624000  0.011099801000  0.005427512200
  0.090587507000  0.048045242000  0.023799601000
  0.246507250000  0.138544030000  0.069425325000
  0.402859020000  0.247801240000  0.127527720000
  0.321308280000  0.144868740000  0.065292477000
  0.086156762000 -0.326023210000 -0.250858730000
  0.000911974110 -0.573459590000 -0.478769740000
  0.001467124400 -0.237052200000  0.032038096000
 -0.000772877890 -0.021649860000  0.645626990000
  0.000240727640 -0.001374696400  0.448505340000
 -0.000052745925  0.000176695460  0.055526111000
   10    2
  1.5713916000e2 24.617804000000
       1561.09970000
        496.55581000
        202.76350000
         93.30616600
         45.80330800
         23.40312800
         11.98274400
          6.08835890
          3.02997190
          1.34379710
  0.004788579800  0.002449687400
  0.034870654000  0.017851660000
  0.134759350000  0.071200225000
  0.310329740000  0.165102670000
  0.408485820000  0.201560780000
  0.255029250000 -0.017792639000
  0.059493839000 -0.384324830000
  0.003715049000 -0.476452060000
  0.000479732520 -0.219515470000
 -0.000019884457 -0.025789351000
    5    1
  7.043483400000
         75.09387300
         24.62158500
          9.43189230
          3.68003900
          1.32509300
  0.080556275000
  0.301622350000
  0.472334480000
  0.370119610000
  0.115270440000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Pt.NR-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]
********************************************************************************
*core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*PT3D-PDS(A3/91/81/5)          (A111/811/6111/41)
********************************************************************************
    16.0   3
* s-type functions
   13    1
     182565.63000000
      24466.34700000
       5007.69742000
       1242.03664000
        134.19211900
         71.17644590
         21.98146330
         36.30671150
          5.49230159
          5.14604519
       8279.05514e-4
       7212.38304e-5
       2736.45737e-5
 -0.000055821418
 -0.000498518695
 -0.002738383030
 -0.009023329570
  0.045619450300
  0.016965198000
 -0.134645869000
 -0.031679179500
  0.153984293000
  0.146889891000
 -0.533963463000
  0.754792531000
  0.362937428000
* p-type functions
   10    2
       3377.95551000
        797.43789800
        253.82821700
         41.77296500
         20.12816520
         13.81565210
          6.32226920
          1.25119465
       4737.73778e-4
          0.08600000
 -0.003603980080  0.000000000000
 -0.024751532100  0.000000000000
 -0.067745922300  0.000000000000
  0.207943802000  0.000000000000
  0.162338669000  0.000000000000
 -0.195102057000  0.000000000000
 -0.505668253000  0.000000000000
  0.754375069000  0.000000000000
  0.394372565000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        581.79112200
        171.84897800
         63.30711460
         12.38863700
          6.59429723
          1.47756241
       5699.13431e-4
       1897.34584e-4
          0.06000000
  0.005926659550  0.000000000000
  0.036650292100  0.000000000000
  0.080881830400  0.000000000000
 -0.146523804000  0.000000000000
 -0.156531666000  0.000000000000
  0.404881601000  0.000000000000
  0.521312108000  0.000000000000
  0.274388335000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         79.36053300
         26.11177700
         10.05374300
          3.95226000
          1.42893000
  0.078899088000
  0.299188020000
  0.473708200000
  0.370439750000
  0.111847450000
********************************************************************************
* Core AIMP: PT(3D)-[CD]4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.2695502000e5  1.4792351000e5  4.8883568000e4  1.7796156000e4  6.9898572000e3  2.8679869000e3  1.1640365000e3  5.1946922000e2  2.6104865000e2 99.927874000000 60.880901000000
 13.807026000000  7.464733000000  2.964030000000  1.358167000000
  0.034471924375  0.028051292500  0.044798163125  0.070387037500  0.102905337500  0.129227981250  0.174683062500  0.309626031250  0.246496581250  0.396645381250  0.621999187500
  0.898656812500  0.599658162500  0.180110931250  0.037282141875
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  5.2722245000e3  8.8802559000e2  2.1126706000e2 46.673229000000  7.210697100000
     165008.32000000
      29908.20000000
       8307.91300000
       2848.76140000
       1121.94050000
        491.56780000
        187.45497000
         87.64930000
         34.18290000
         18.33292900
          7.69415520
          4.00857730
          1.54723830
          0.80318004
          0.36335400
  0.007483324400  0.002561816500  0.001184115100  0.000596698070  0.000248151590
  0.041349479000  0.013811853000  0.006698570500  0.003268176500  0.001364661500
  0.144096150000  0.053252181000  0.025079181000  0.012616989000  0.005253716200
  0.332776230000  0.138206340000  0.069321117000  0.034147480000  0.014283902000
  0.411188980000  0.253630040000  0.128767360000  0.066333913000  0.027742502000
  0.194854580000  0.119718620000  0.075285999000  0.037156013000  0.015752186000
  0.017482319000 -0.506589440000 -0.434709850000 -0.241520750000 -0.103964550000
 -0.003625715400 -0.594572650000 -0.669084480000 -0.435728410000 -0.193087330000
  0.002030781000 -0.099733859000  0.563387950000  0.593053480000  0.292129840000
 -0.001540570700  0.024334806000  0.757331480000  0.947057570000  0.498991230000
  0.000898334620 -0.009747131800  0.104605430000 -0.664242680000 -0.486379800000
 -0.000554148600  0.005576262000 -0.014846587000 -0.830374280000 -0.922045510000
  0.000275481260 -0.002585067900  0.005250005100 -0.075650135000  0.473014970000
 -0.000156491160  0.001428774200 -0.002788567800  0.010765240000  0.809055290000
  0.000037142884 -0.000337154770  0.000590916130 -0.002291785500  0.183943520000
   12    3
  8.5202642000e2  1.9430332000e2 39.285548000000
      13571.49500000
       3507.80990000
       1239.34130000
        511.70048000
        232.27340000
        112.15293000
         54.78330400
         28.39739700
         14.69725500
          7.56533200
          3.86361300
          1.75010000
  0.003463314700  0.001758334700  0.000864284090
  0.023742516000  0.012109691000  0.005960358100
  0.097281213000  0.051858042000  0.025784473000
  0.258992910000  0.146493470000  0.073933478000
  0.407901380000  0.252550160000  0.130489000000
  0.306638080000  0.123899480000  0.053118008000
  0.075066207000 -0.364191630000 -0.283324820000
  0.000190052750 -0.564726270000 -0.471171480000
  0.001258485800 -0.209175110000  0.092880176000
 -0.000680453920 -0.015889829000  0.664465680000
  0.000206323950 -0.001424471700  0.407601440000
 -0.000041081608  0.000251180420  0.042214343000
   10    2
  1.6307571000e2 25.798471000000
       1504.42180000
        478.86096000
        195.51624000
         89.90335000
         44.10058200
         22.45379600
         11.45043000
          5.80150600
          2.85208000
          1.16086000
  0.005503952400  0.002832420400
  0.039434898000  0.020378899000
  0.148822150000  0.079326713000
  0.329648390000  0.176664890000
  0.408357560000  0.196597210000
  0.230473990000 -0.060269389000
  0.046333691000 -0.422026330000
  0.002532374700 -0.461191010000
  0.000334454120 -0.179119580000
 -0.000031537097 -0.014899524000
    5    1
  7.684326200000
         79.36053300
         26.11177700
         10.05374300
          3.95226000
          1.42893000
  0.078899088000
  0.299188020000
  0.473708200000
  0.370439750000
  0.111847450000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Au.NR-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]
********************************************************************************
*core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*AU2S-PDS(A3/91/81/5)          (A111/811/6111/41)
********************************************************************************
    17.0   3
* s-type functions
   13    1
     231411.02300000
      26976.70820000
       5269.63393000
       1280.38645000
        143.12997400
         67.10746410
         32.50951330
         16.18747620
          5.85417719
          5.29525832
       8646.91338e-4
       7268.28816e-5
        275.10639e-4
 -0.000045241535
 -0.000469521434
 -0.002677369620
 -0.008997820810
  0.040993126500
  0.031485883100
 -0.107137685000
 -0.084877465500
  0.266643970000
  0.043281022700
 -0.515236854000
  0.739163681000
  0.374201929000
* p-type functions
   10    2
       3495.37992000
        824.81482900
        262.26499600
         42.35591610
         19.75153910
         13.32255540
          6.51275628
          1.32576933
       5036.40306e-4
          0.08900000
 -0.003631414270  0.000000000000
 -0.025037010200  0.000000000000
 -0.069134870800  0.000000000000
  0.223351815000  0.000000000000
  0.142514711000  0.000000000000
 -0.201274451000  0.000000000000
 -0.502056542000  0.000000000000
  0.757741165000  0.000000000000
  0.394781089000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        598.95817200
        176.83068200
         65.24127960
         13.04554210
          7.04496641
          1.56232306
          0.60673711
       2044.41449e-4
          0.06210000
  0.006121176840  0.000000000000
  0.037922524800  0.000000000000
  0.083413230000  0.000000000000
 -0.144631972000  0.000000000000
 -0.165906058000  0.000000000000
  0.417794431000  0.000000000000
  0.517671061000  0.000000000000
  0.261289054000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         84.15655900
         27.79654100
         10.76481000
          4.26794700
          1.55809810
  0.076582313000
  0.294858710000
  0.473782630000
  0.372432400000
  0.110644090000
********************************************************************************
* Core AIMP: AU(2S)-[CD]4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.9317692000e5  1.7312740000e5  6.0017718000e4  2.2638546000e4  9.0668432000e3  3.7958889000e3  1.5771318000e3  6.7092092000e2  3.2595235000e2  1.1913398000e2 65.817691000000
 14.625726000000  8.138888000000  3.251955000000  1.468040000000
  0.030905974118  0.023648625882  0.036889551765  0.057679508824  0.086203447059  0.112933729412  0.141539876471  0.255298041176  0.295081817647  0.303589452941  0.685978058824
  0.804557294118  0.599575705882  0.174546076471  0.038631697059
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  5.4136660000e3  9.1436505000e2  2.1852159000e2 48.707536000000  7.617656600000
     166331.48000000
      30413.25300000
       8463.84260000
       2904.38920000
       1144.77930000
        502.15116000
        192.28808000
         89.99860600
         35.14644100
         18.85162500
          7.90287990
          4.13673920
          1.59039840
          0.80881104
          0.35890900
  0.007602783800  0.002603569000  0.001204974200  0.000609912800  0.000255338700
  0.041666990000  0.013934059000  0.006769098500  0.003311909400  0.001402506600
  0.145077190000  0.053668525000  0.025311152000  0.012788284000  0.005366221500
  0.334012250000  0.139074640000  0.069892475000  0.034532043000  0.014645479000
  0.410625510000  0.254101720000  0.129239380000  0.066897339000  0.028175266000
  0.192959720000  0.118020520000  0.074602634000  0.036824728000  0.015971591000
  0.017185746000 -0.507370830000 -0.436946600000 -0.243627440000 -0.106427880000
 -0.003529549500 -0.593913260000 -0.669367970000 -0.438504670000 -0.195929130000
  0.001971143400 -0.099467681000  0.567115390000  0.602519250000  0.299053060000
 -0.001492287800  0.024222726000  0.755965380000  0.947167450000  0.508909550000
  0.000869659720 -0.009685509000  0.103937520000 -0.677867510000 -0.512036040000
 -0.000532840420  0.005508346400 -0.015033919000 -0.823551190000 -0.927531110000
  0.000253890990 -0.002449480300  0.005036065800 -0.072263645000  0.538683390000
 -0.000140471010  0.001316992300 -0.002620976900  0.009975616600  0.791015030000
  0.000033476048 -0.000311961600  0.000560885510 -0.002175327500  0.152239250000
   12    3
  8.7781210000e2  2.0124513000e2 41.141324000000
      14831.78900000
       3818.44060000
       1346.11270000
        554.37727000
        250.94143000
        120.85049000
         59.01129800
         30.58564100
         15.87591300
          8.13542820
          4.14873330
          1.88041000
  0.003120847900  0.001585720500  0.000784639410
  0.021624873000  0.011042196000  0.005449204200
  0.089960271000  0.047887331000  0.023925034000
  0.245785820000  0.138658840000  0.070133797000
  0.403173340000  0.249048630000  0.129316640000
  0.322275580000  0.145991630000  0.066504887000
  0.086251320000 -0.329361690000 -0.257246750000
  0.000810518040 -0.574914540000 -0.484619890000
  0.001468997600 -0.234002460000  0.042633839000
 -0.000778982180 -0.020384713000  0.660995620000
  0.000242082220 -0.001351141500  0.435799050000
 -0.000048546045  0.000245693870  0.047614596000
   10    2
  1.6943759000e2 27.310991000000
       1716.83050000
        547.86190000
        224.53506000
        103.70521000
         51.08857800
         26.21528900
         13.50105100
          6.91181500
          3.48050100
          1.58044620
  0.004408967800  0.002287721300
  0.032215990000  0.016724556000
  0.125971750000  0.067465043000
  0.297207960000  0.160649710000
  0.406592480000  0.206720830000
  0.270279950000  0.006336076700
  0.069049941000 -0.365268980000
  0.004744589100 -0.486205570000
  0.000512685940 -0.235351330000
 -0.000014236383 -0.029752739000
    5    1
  8.656689400000
         84.15655900
         27.79654100
         10.76481000
          4.26794700
          1.55809810
  0.076582313000
  0.294858710000
  0.473782630000
  0.372432400000
  0.110644090000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator

/Hg.NR-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]
********************************************************************************
*core[Cd,4f] val[5p,6s,5d]     (11,1,1/811*/6111d/4o1*)=3s3p4d2f recommended
*HG1S-PDS(A3/91/81/5)          (A111/811/6111/41)
********************************************************************************
    18.0   3
* s-type functions
   13    1
     178598.30100000
      24578.67710000
       5129.71022000
       1282.27415000
        151.25965600
         69.42406190
         34.03737110
         16.28530690
          6.16488347
          5.18914748
       9376.08671e-4
       9398.57525e-5
       3501.34788e-5
 -0.000068288923
 -0.000587104767
 -0.003159516570
 -0.010281654200
  0.044222637000
  0.042705128400
 -0.127853552000
 -0.099431865400
  0.299897294000
  0.063893487400
 -0.594018676000
  0.753202662000
  0.383760361000
* p-type functions
   10    2
       3601.67046000
        848.64262800
        269.55869300
         43.87115470
         21.77418590
         13.81525130
          6.83694118
          1.40055949
       5426.20667e-4
          0.09300000
 -0.003706519210  0.000000000000
 -0.025663000800  0.000000000000
 -0.071058446400  0.000000000000
  0.224566737000  0.000000000000
  0.128668046000  0.000000000000
 -0.172741736000  0.000000000000
 -0.525456174000  0.000000000000
  0.768110431000  0.000000000000
  0.385401261000  0.000000000000
  0.000000000000  1.000000000000
* d-type functions
    9    2
        622.58332100
        183.49209900
         67.63963600
         13.39307930
          7.22407681
          1.70025409
       6860.38974e-4
       2436.10143e-4
          0.07620000
  0.006409319410  0.000000000000
  0.040097916400  0.000000000000
  0.089036075900  0.000000000000
 -0.159705750000  0.000000000000
 -0.171926058000  0.000000000000
  0.422347295000  0.000000000000
  0.520557581000  0.000000000000
  0.239227763000  0.000000000000
  0.000000000000  1.000000000000
* f-type functions
    5    1
         89.54024200
         29.69743600
         11.57466700
          4.63174400
          1.71578700
  0.073680191000
  0.288745930000
  0.472586730000
  0.376056610000
  0.111490580000
********************************************************************************
* Core AIMP: HG(1S)-[CD]4F
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.9558602000e5  1.7136251000e5  5.8491668000e4  2.1755856000e4  8.6707672000e3  3.6248069000e3  1.5075265000e3  6.5443622000e2  3.2368965000e2  1.1983527000e2 67.622901000000
 15.057726000000  8.405963000000  3.379420000000  1.566477000000
  0.029688446667  0.023070097222  0.036485949444  0.057068438889  0.084418605556  0.108674250000  0.137212322222  0.247225405556  0.266408244444  0.292200533333  0.637317277778
  0.779353166667  0.551770983333  0.158277900000  0.035272835000
M2
  0
COREREP
 1.0
PROJOP
    3
   15    5
  5.5573604000e3  9.4147010000e2  2.2627321000e2 51.146770000000  8.364036800000
     175599.45000000
      32197.31300000
       8994.24100000
       3092.70270000
       1220.92170000
        535.21263000
        199.79441000
         93.47751300
         36.59890500
         19.70567300
          8.31375390
          4.39614480
          1.75513790
          0.91469905
          0.41831100
  0.007328962400  0.002515802500  0.001167253100  0.000591695380  0.000252634650
  0.040001693000  0.013352159000  0.006490338900  0.003192193800  0.001369070300
  0.139309950000  0.051500931000  0.024330124000  0.012317447000  0.005266036000
  0.324658840000  0.133868600000  0.067222373000  0.033378502000  0.014340284000
  0.410986630000  0.250249350000  0.127303270000  0.065914933000  0.028304367000
  0.207242000000  0.131575810000  0.081418441000  0.040854767000  0.017784509000
  0.020422472000 -0.496668780000 -0.425403480000 -0.238500840000 -0.105522950000
 -0.004741059000 -0.602331030000 -0.681222370000 -0.446142680000 -0.203246710000
  0.002767369200 -0.103899120000  0.542693630000  0.576546860000  0.292505280000
 -0.002117137000  0.025362133000  0.772620600000  0.976326550000  0.531451060000
  0.001273438400 -0.010444110000  0.111803350000 -0.637996330000 -0.485080840000
 -0.000812650210  0.006146760900 -0.016587280000 -0.852970040000 -0.980484960000
  0.000405473040 -0.002855444100  0.005789690000 -0.083541907000  0.462527420000
 -0.000224396680  0.001535334100 -0.002985250100  0.010457763000  0.842577790000
  0.000052748527 -0.000358374830  0.000623901910 -0.002307265300  0.185321290000
   12    3
  9.0436061000e2  2.0868154000e2 43.397867000000
      15921.69800000
       4093.32010000
       1438.66070000
        590.93629000
        266.93736000
        128.33514000
         62.72249500
         32.52027900
         16.92591700
          8.65847010
          4.42488530
          2.02472000
  0.002888337300  0.001468768100  0.000731089430
  0.020181207000  0.010320210000  0.005108610700
  0.085117017000  0.045283271000  0.022728130000
  0.236761510000  0.133423230000  0.067681672000
  0.399177710000  0.246206000000  0.128420870000
  0.332553360000  0.160417050000  0.075382083000
  0.094590097000 -0.304008620000 -0.238909760000
  0.001531869800 -0.579735590000 -0.492197150000
  0.001569966800 -0.252698180000  0.006001050400
 -0.000827689090 -0.024282088000  0.654831420000
  0.000261141080 -0.001269051100  0.456729990000
 -0.000052690149  0.000236047370  0.053263072000
   10    2
  1.7629070000e2 29.219232000000
       1811.95050000
        577.91881000
        236.56341000
        109.19877000
         53.80980900
         27.64128700
         14.26249400
          7.32297300
          3.70375000
          1.69857000
  0.004170565800  0.002178646200
  0.030762414000  0.016072761000
  0.121808750000  0.065643923000
  0.291502150000  0.158730050000
  0.405908950000  0.209097570000
  0.277116230000  0.016735108000
  0.073474101000 -0.357197980000
  0.005244621100 -0.490141810000
  0.000530872630 -0.241891970000
 -0.000019461842 -0.031341354000
    5    1
 10.024755000000
         89.54024200
         29.69743600
         11.57466700
          4.63174400
          1.71578700
  0.073680191000
  0.288745930000
  0.472586730000
  0.376056610000
  0.111490580000
Spectral Representation Operator
Valence primitive basis
Exchange
End of Spectral Representation Operator
