# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# cc-pwCV5Z-PP version number 0
# Description: cc-pwCV5Z-PP
# Role: orbital
# 
#  If you downloaded data from the basis set
#  exchange or used the basis set exchange python library, please cite:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# 
#  References for the basis set
# 
#  Cu,Zn,Ag,Cd,Au,Hg
#      cc-pV5Z-PP
#          peterson2005a
# 
#      cc-pwCV5Z-PP
#          peterson2005a
# 
#      Stuttgart-Koeln MCDHF RSC ECP
#          figgen2005a
# 
#  Ga-As,In-Sb,Pb,Bi
#      cc-pV5Z-PP
#          peterson2003a
# 
#      cc-pwCV5Z-PP
#          peterson2010a
# 
#      Stuttgart-Koeln MCDHF RSC ECP
#          metz2000a
# 
#  Se-Kr,Te,Xe,Po-Rn
#      cc-pV5Z-PP
#          peterson2003b
# 
#      cc-pwCV5Z-PP
#          peterson2010a
# 
#      Stuttgart-Koeln MCDHF RSC ECP
#          peterson2003b
# 
#  Y-Pd
#      cc-pV5Z-PP
#          peterson2007a
# 
#      cc-pwCV5Z-PP
#          peterson2007a
# 
#      Stuttgart-Koeln MCDHF RSC ECP
#          peterson2007a
# 
#  I
#      cc-pV5Z-PP
#          peterson2003b peterson2006a
# 
#      cc-pwCV5Z-PP
#          peterson2010a
# 
#      Stuttgart-Koeln MCDHF RSC ECP
#          peterson2003b peterson2006a
# 
#  Hf-Pt
#      cc-pV5Z-PP
#          figgen2009a
# 
#      cc-pwCV5Z-PP
#          figgen2009a
# 
#      Stuttgart-Koeln MCDHF RSC ECP
#          figgen2009a
# 
#  Tl
#      cc-pV5Z-PP
#          peterson2003a
# 
#      cc-pwCV5Z-PP
#          peterson2010a
# 
#      Stuttgart-Koeln MCDHF RSC ECP
#          metz2000b
# 
# 
# 
# figgen2005a
#     Figgen, Detlev, Rauhut, Guntram, Dolg, Michael, Stoll, Hermann
#     Energy-consistent pseudopotentials for group 11 and 12 atoms:
#             adjustment to multi-configuration Dirac-Hartree-Fock data
#     J. Chem. Phys. 311, 227-244 (2005)
#     10.1016/j.chemphys.2004.10.005
# 
# figgen2009a
#     Figgen, Detlev, Peterson, Kirk A., Dolg, Michael, Stoll, Hermann
#     Energy-consistent pseudopotentials and correlation consistent basis
#             sets for the 5d elements Hf-Pt
#     J. Chem. Phys. 130, 164108 (2009)
#     10.1063/1.3119665
# 
# metz2000a
#     Metz, Bernhard, Stoll, Hermann, Dolg, Michael
#     Small-core multiconfiguration-Dirac-Hartree-Fock-adjusted
#             pseudopotentials for post-d main group elements: Application
#             to PbH and PbO
#     J. Chem. Phys. 113, 2563-2569 (2000)
#     10.1063/1.1305880
# 
# metz2000b
#     Metz, Bernhard, Schweizer, Marcus, Stoll, Hermann, Dolg, Michael, Liu,
#             Wenjian
#     A small-core multiconfiguration Dirac-Hartree-Fock-adjusted
#             pseudopotential for Tl - application to Tl X ( X = F, Cl, Br,
#             I)
#     Theor. Chim. Acta 104, 22-28 (2000)
#     10.1007/s002149900101
# 
# peterson2003a
#     Peterson, Kirk A.
#     Systematically convergent basis sets with relativistic
#             pseudopotentials. I. Correlation consistent basis sets for the
#             post-d group 13-15 elements
#     J. Chem. Phys. 119, 11099-11112 (2003)
#     10.1063/1.1622923
# 
# peterson2003b
#     Peterson, Kirk A., Figgen, Detlev, Goll, Erich, Stoll, Hermann, Dolg,
#             Michael
#     Systematically convergent basis sets with relativistic
#             pseudopotentials. II. Small-core pseudopotentials and
#             correlation consistent basis sets for the post-d group 16-18
#             elements
#     J. Chem. Phys. 119, 11113-11123 (2003)
#     10.1063/1.1622924
# 
# peterson2005a
#     Peterson, Kirk A, Puzzarini, Cristina
#     Systematically convergent basis sets for transition metals. II.
#             Pseudopotential-based correlation consistent basis sets for
#             the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements
#     Theor. Chem. Acc. 114, 283-296 (2005)
#     10.1007/s00214-005-0681-9
# 
# peterson2006a
#     Peterson, Kirk A., Shepler, Benjamin C., Figgen, Detlev, Stoll,
#             Hermann
#     On the Spectroscopic and Thermochemical Properties of ClO, BrO, IO,
#             and Their Anions
#     J. Phys. Chem. A 110, 13877-13883 (2006)
#     10.1021/jp065887l
# 
# peterson2007a
#     Peterson, Kirk A., Figgen, Detlev, Dolg, Michael, Stoll, Hermann
#     Energy-consistent relativistic pseudopotentials and correlation
#             consistent basis sets for the 4d elements Y-Pd
#     J. Chem. Phys. 126, 124101 (2007)
#     10.1063/1.2647019
# 
# peterson2010a
#     Peterson, Kirk A., Yousaf, Kazim E.
#     Molecular core-valence correlation effects involving the post-d
#             elements Ga-Rn: Benchmarks and new pseudopotential-based
#             correlation consistent basis sets
#     J. Chem. Phys. 133, 174116 (2010)
#     10.1063/1.3503659
# 
# # 
basis "Cu_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,58d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Cu    S
      5.8694000              1.0000000
Cu    S
      3.6782000              1.0000000
Cu    S
  47481.0000000              0.0000040
   7116.8600000              0.0000270
   1608.2800000              0.0001340
    444.8410000              0.0004460
     97.8090000              0.0043380
     60.8618000             -0.0247350
     37.8932000              0.0783710
     12.3039000             -0.2809410
      7.6956800             -0.1933320
      3.1305800              0.4088360
      1.6195400              0.5916440
      0.7971120              0.2635430
      0.2678080              0.0198730
      0.1479860             -0.0066020
      0.0687380              0.0021730
Cu    S
  47481.0000000              0.0000020
   7116.8600000              0.0000120
   1608.2800000              0.0000700
    444.8410000              0.0001910
     97.8090000              0.0025150
     60.8618000             -0.0127600
     37.8932000              0.0384230
     12.3039000             -0.1646870
      7.6956800             -0.0554710
      3.1305800              0.2653210
      1.6195400              0.5666590
      0.7971120             -0.0879790
      0.2678080             -1.0200250
      0.1479860             -0.3611740
      0.0687380              0.2794740
Cu    S
  47481.0000000             -0.0000040
   7116.8600000             -0.0000260
   1608.2800000             -0.0001680
    444.8410000             -0.0003630
     97.8090000             -0.0067690
     60.8618000              0.0314750
     37.8932000             -0.0904520
     12.3039000              0.4526940
      7.6956800              0.0221290
      3.1305800             -1.0866650
      1.6195400             -0.9286330
      0.7971120              2.0446460
      0.2678080              0.7991380
      0.1479860             -1.9130430
      0.0687380             -0.2062770
Cu    S
  47481.0000000             -0.0000010
   7116.8600000             -0.0000060
   1608.2800000             -0.0000260
    444.8410000             -0.0000940
     97.8090000             -0.0007680
     60.8618000              0.0045070
     37.8932000             -0.0150800
     12.3039000              0.0597320
      7.6956800              0.0367670
      3.1305800             -0.0959590
      1.6195400             -0.1600320
      0.7971120             -0.1554120
      0.2678080             -0.0152390
      0.1479860              0.3122670
      0.0687380              0.5241750
Cu    S
  47481.0000000              0.0000060
   7116.8600000              0.0000300
   1608.2800000              0.0002800
    444.8410000              0.0002810
     97.8090000              0.0141060
     60.8618000             -0.0586810
     37.8932000              0.1506420
     12.3039000             -0.9168870
      7.6956800              0.3762410
      3.1305800              2.9881220
      1.6195400             -2.8563780
      0.7971120             -0.8763030
      0.2678080              3.8452490
      0.1479860             -2.3033270
      0.0687380             -1.4120390
Cu    S
  47481.0000000              0.0000120
   7116.8600000             -0.0000070
   1608.2800000              0.0007130
    444.8410000             -0.0013330
     97.8090000              0.0577270
     60.8618000             -0.2075630
     37.8932000              0.3758020
     12.3039000             -2.2488930
      7.6956800              2.5377980
      3.1305800              2.9919750
      1.6195400             -7.9348760
      0.7971120              6.7561770
      0.2678080             -2.7589860
      0.1479860             -1.2012820
      0.0687380              3.4725690
Cu    S
      0.0315880              1.0000000
Cu    P
     11.0724000              1.0000000
Cu    P
      4.1598000              1.0000000
Cu    P
    994.7840000              0.0000460
    233.5740000              0.0003230
     49.3355000              0.0077770
     24.6221000             -0.0302250
     14.5861000             -0.0680470
      5.1492900              0.2180790
      2.7642700              0.3918760
      1.4435900              0.3528230
      0.7290250              0.1640360
      0.3154570              0.0236590
      0.1420260             -0.0008270
      0.0637270              0.0009510
Cu    P
    994.7840000             -0.0000210
    233.5740000             -0.0001440
     49.3355000             -0.0035890
     24.6221000              0.0156100
     14.5861000              0.0277930
      5.1492900             -0.1247310
      2.7642700             -0.2039560
      1.4435900             -0.1616050
      0.7290250              0.1087170
      0.3154570              0.4919850
      0.1420260              0.4531510
      0.0637270              0.0980950
Cu    P
    994.7840000             -0.0000530
    233.5740000             -0.0003200
     49.3355000             -0.0085840
     24.6221000              0.0436110
     14.5861000              0.0541100
      5.1492900             -0.4003720
      2.7642700             -0.4965730
      1.4435900              0.0947320
      0.7290250              0.9615560
      0.3154570              0.2341110
      0.1420260             -0.7235870
      0.0637270             -0.1789090
Cu    P
    994.7840000              0.0001360
    233.5740000              0.0000840
     49.3355000              0.0193530
     24.6221000             -0.1195270
     14.5861000              0.0061250
      5.1492900              0.9456850
      2.7642700              0.2440170
      1.4435900             -1.5726390
      0.7290250              0.0798670
      0.3154570              1.5081190
      0.1420260             -0.7601700
      0.0637270             -0.3501020
Cu    P
    994.7840000              0.0004850
    233.5740000             -0.0017800
     49.3355000              0.0628640
     24.6221000             -0.3991150
     14.5861000              0.3897740
      5.1492900              2.1154930
      2.7642700             -3.0279620
      1.4435900              0.2861890
      0.7290250              2.0889350
      0.3154570             -1.7381410
      0.1420260              0.1087960
      0.0637270              0.6313500
Cu    P
    994.7840000              0.0000100
    233.5740000              0.0000670
     49.3355000              0.0016740
     24.6221000             -0.0068760
     14.5861000             -0.0135580
      5.1492900              0.0520640
      2.7642700              0.0904900
      1.4435900              0.0965080
      0.7290250              0.0163080
      0.3154570             -0.1903600
      0.1420260             -0.4128340
      0.0637270             -0.4154670
Cu    P
      0.0282380              1.0000000
Cu    D
      9.4711000              1.0000000
Cu    D
      5.9405000              1.0000000
Cu    D
    573.2950000              0.0001120
    173.7710000              0.0011780
     68.3868000              0.0080990
     31.9759000              0.0320690
     15.4418000              0.0843040
      7.7849700              0.1679020
      3.9745900              0.2452750
      2.0118300              0.2766790
      0.9966730              0.2550870
      0.4783830              0.1937240
      0.2191490              0.1088390
Cu    D
    573.2950000             -0.0002350
    173.7710000             -0.0027710
     68.3868000             -0.0181450
     31.9759000             -0.0773770
     15.4418000             -0.2272860
      7.7849700             -0.5059800
      3.9745900              0.1897810
      2.0118300              0.9638390
      0.9966730             -0.2840360
      0.4783830             -0.8477920
      0.2191490              0.3362200
Cu    D
    573.2950000              0.0001670
    173.7710000              0.0018140
     68.3868000              0.0124100
     31.9759000              0.0503820
     15.4418000              0.1409140
      7.7849700              0.2992030
      3.9745900              0.2379310
      2.0118300             -0.2807740
      0.9966730             -0.5675590
      0.4783830             -0.0797420
      0.2191490              0.5364410
Cu    D
    573.2950000             -0.0001410
    173.7710000             -0.0014910
     68.3868000             -0.0102980
     31.9759000             -0.0410320
     15.4418000             -0.1110920
      7.7849700             -0.2249840
      3.9745900             -0.2847560
      2.0118300             -0.1384660
      0.9966730              0.1781060
      0.4783830              0.3882270
      0.2191490              0.3421100
Cu    D
    573.2950000             -0.0003870
    173.7710000             -0.0029480
     68.3868000             -0.0271430
     31.9759000             -0.0903680
     15.4418000             -0.4052580
      7.7849700             -0.4721840
      3.9745900              1.4078920
      2.0118300             -0.1982090
      0.9966730             -1.4144590
      0.4783830              1.1732430
      0.2191490              0.1886550
Cu    D
      0.0926120              1.0000000
Cu    F
     14.4108000              1.0000000
Cu    F
      6.6158000              1.0000000
Cu    F
      3.0372000              1.0000000
Cu    F
      1.3943000              1.0000000
Cu    F
      0.4977000              1.0000000
Cu    G
     12.5495000              1.0000000
Cu    G
      6.0367000              1.0000000
Cu    G
      2.9038000              1.0000000
Cu    G
      1.1030000              1.0000000
Cu    H
     10.5688000              1.0000000
Cu    H
      4.9812000              1.0000000
Cu    H
      2.0847000              1.0000000
Cu    I
     10.2939000              1.0000000
Cu    I
      4.9263000              1.0000000
end


ecp "Cu_cc-pwCV5Z-PP"
Cu nelec 10
Cu ul
2       1.0000000              0.0000000
Cu S
2      30.1105430            355.7505120
2      13.0763100             70.9309060
Cu P
2      32.6926140             77.9699310
2      32.7703390            155.9274480
2      13.7510670             18.0211320
2      13.3221660             36.0943720
Cu D
2      38.9965110            -12.3434100
2      39.5397880            -18.2733620
2      12.2875110             -0.9847050
2      11.4593000             -1.3187470
Cu F
2       6.1901020             -0.2272640
2       8.1187800             -0.4687730
end
basis "Zn_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,58d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Zn    S
      6.6391000              1.0000000
Zn    S
      4.1605000              1.0000000
Zn    S
  50419.8000000              0.0000030
   8013.0500000              0.0000230
   1864.4100000              0.0001120
    516.8830000              0.0003830
    110.7390000              0.0039760
     68.5920000             -0.0230070
     42.7231000              0.0717560
     12.8754000             -0.3065280
      8.0517500             -0.1667500
      3.3821000              0.4203140
      1.7453000              0.6007590
      0.8572140              0.2489510
      0.2807370              0.0138190
      0.1549350             -0.0044900
      0.0717090              0.0012540
Zn    S
  50419.8000000             -0.0000030
   8013.0500000             -0.0000160
   1864.4100000             -0.0000960
    516.8830000             -0.0002400
    110.7390000             -0.0039270
     68.5920000              0.0194170
     42.7231000             -0.0562510
     12.8754000              0.3060970
      8.0517500              0.0228080
      3.3821000             -0.5195240
      1.7453000             -0.8639280
      0.8572140              0.6649260
      0.2807370              1.4803430
      0.1549350             -0.4416580
      0.0717090             -0.5650320
Zn    S
  50419.8000000             -0.0000040
   8013.0500000             -0.0000250
   1864.4100000             -0.0001590
    516.8830000             -0.0003690
    110.7390000             -0.0063760
     68.5920000              0.0304960
     42.7231000             -0.0910560
     12.8754000              0.6132990
      8.0517500             -0.1276210
      3.3821000             -1.5796900
      1.7453000             -0.2799730
      0.8572140              2.5541640
      0.2807370             -1.0952430
      0.1549350             -1.2948510
      0.0717090              1.0200980
Zn    S
  50419.8000000              0.0000080
   8013.0500000              0.0000250
   1864.4100000              0.0003430
    516.8830000              0.0001080
    110.7390000              0.0198600
     68.5920000             -0.0794470
     42.7231000              0.1888710
     12.8754000             -1.5400620
      8.0517500              1.3001280
      3.3821000              3.6828310
      1.7453000             -6.0614780
      0.8572140              2.5776780
      0.2807370              2.9314390
      0.1549350             -4.5441800
      0.0717090              1.6667680
Zn    S
  50419.8000000             -0.0000010
   8013.0500000             -0.0000060
   1864.4100000             -0.0000260
    516.8830000             -0.0000930
    110.7390000             -0.0008300
     68.5920000              0.0049010
     42.7231000             -0.0160050
     12.8754000              0.0760090
      8.0517500              0.0344540
      3.3821000             -0.1110350
      1.7453000             -0.2007290
      0.8572140             -0.1768110
      0.2807370              0.0851150
      0.1549350              0.4034450
      0.0717090              0.5114480
Zn    S
  50419.8000000              0.0000170
   8013.0500000             -0.0000390
   1864.4100000              0.0009160
    516.8830000             -0.0022000
    110.7390000              0.0782790
     68.5920000             -0.2744010
     42.7231000              0.4636130
     12.8754000             -3.6889700
      8.0517500              5.8729060
      3.3821000             -1.8608770
      1.7453000             -3.9473360
      0.8572140              6.7565010
      0.2807370             -9.1897180
      0.1549350              8.3971990
      0.0717090             -2.4279460
Zn    S
      0.0327990              1.0000000
Zn    P
     12.1658000              1.0000000
Zn    P
      4.4104000              1.0000000
Zn    P
   1172.3600000              0.0000370
    276.3820000              0.0002580
     57.8057000              0.0070210
     30.5032000             -0.0239010
     16.1822000             -0.0733240
      5.5670600              0.2236650
      2.9888300              0.3968750
      1.5613900              0.3536010
      0.7880740              0.1533350
      0.3402420              0.0187970
      0.1525990             -0.0004710
      0.0678110              0.0006920
Zn    P
   1172.3600000              0.0000460
    276.3820000              0.0002220
     57.8057000              0.0082730
     30.5032000             -0.0347590
     16.1822000             -0.0627710
      5.5670600              0.4119930
      2.9888300              0.4684490
      1.5613900             -0.0597750
      0.7880740             -0.9337340
      0.3402420             -0.3208820
      0.1525990              0.7113880
      0.0678110              0.1858950
Zn    P
   1172.3600000             -0.0000150
    276.3820000             -0.0000930
     57.8057000             -0.0028550
     30.5032000              0.0105360
     16.1822000              0.0264820
      5.5670600             -0.1069190
      2.9888300             -0.1724900
      1.5613900             -0.1495920
      0.7880740              0.0523850
      0.3402420              0.4568830
      0.1525990              0.5063440
      0.0678110              0.1148650
Zn    P
   1172.3600000              0.0001280
    276.3820000             -0.0000810
     57.8057000              0.0192510
     30.5032000             -0.0908240
     16.1822000             -0.0266290
      5.5670600              0.9279990
      2.9888300              0.2501550
      1.5613900             -1.4807320
      0.7880740             -0.0649640
      0.3402420              1.5719090
      0.1525990             -0.7383820
      0.0678110             -0.3691900
Zn    P
   1172.3600000             -0.0004970
    276.3820000              0.0022090
     57.8057000             -0.0669790
     30.5032000              0.3166910
     16.1822000             -0.2842230
      5.5670600             -2.0485230
      2.9888300              2.7506110
      1.5613900              0.0688920
      0.7880740             -2.2656820
      0.3402420              1.6860730
      0.1525990              0.0068520
      0.0678110             -0.6912180
Zn    P
   1172.3600000             -0.0000080
    276.3820000             -0.0000500
     57.8057000             -0.0014730
     30.5032000              0.0052210
     16.1822000              0.0142920
      5.5670600             -0.0513650
      2.9888300             -0.0873340
      1.5613900             -0.0928550
      0.7880740             -0.0160040
      0.3402420              0.1818650
      0.1525990              0.4048920
      0.0678110              0.4236760
Zn    P
      0.0296610              1.0000000
Zn    D
     10.6203000              1.0000000
Zn    D
      6.6621000              1.0000000
Zn    D
    711.3310000              0.0000920
    215.9730000              0.0009620
     85.1094000              0.0065710
     39.8164000              0.0280230
     19.4372000              0.0745890
      9.8713900              0.1546060
      5.0968200              0.2383640
      2.6187300              0.2815350
      1.3210700              0.2662440
      0.6482480              0.1976310
      0.3048130              0.1001960
Zn    D
    711.3310000              0.0001650
    215.9730000              0.0021010
     85.1094000              0.0129370
     39.8164000              0.0618650
     19.4372000              0.1725820
      9.8713900              0.4627300
      5.0968200             -0.0296170
      2.6187300             -0.9453840
      1.3210700              0.0721040
      0.6482480              1.0067700
      0.3048130             -0.2852740
Zn    D
    711.3310000              0.0001270
    215.9730000              0.0013370
     85.1094000              0.0092050
     39.8164000              0.0394400
     19.4372000              0.1080670
      9.8713900              0.2315870
      5.0968200              0.3176520
      2.6187300              0.1682570
      1.3210700             -0.1969900
      0.6482480             -0.4125860
      0.3048130             -0.3046730
Zn    D
    711.3310000              0.0001410
    215.9730000              0.0015490
     85.1094000              0.0104550
     39.8164000              0.0459910
     19.4372000              0.1290630
      9.8713900              0.3058050
      5.0968200              0.2663160
      2.6187300             -0.3407180
      1.3210700             -0.5632060
      0.6482480             -0.0364510
      0.3048130              0.5568570
Zn    D
    711.3310000             -0.0002720
    215.9730000             -0.0025010
     85.1094000             -0.0197970
     39.8164000             -0.0786830
     19.4372000             -0.3036580
      9.8713900             -0.6107360
      5.0968200              1.1190580
      2.6187300              0.4422770
      1.3210700             -1.7152170
      0.6482480              0.8711110
      0.3048130              0.6507680
Zn    D
      0.1327280              1.0000000
Zn    F
     16.1321000              1.0000000
Zn    F
      7.4421000              1.0000000
Zn    F
      3.4332000              1.0000000
Zn    F
      1.5838000              1.0000000
Zn    F
      0.5730000              1.0000000
Zn    G
     14.0557000              1.0000000
Zn    G
      6.8101000              1.0000000
Zn    G
      3.2995000              1.0000000
Zn    G
      1.2779000              1.0000000
Zn    H
     11.9083000              1.0000000
Zn    H
      5.6533000              1.0000000
Zn    H
      2.4171000              1.0000000
Zn    I
     11.4367000              1.0000000
Zn    I
      5.6635000              1.0000000
end


ecp "Zn_cc-pwCV5Z-PP"
Zn nelec 10
Zn ul
2       1.0000000              0.0000000
Zn S
2      34.1740010            399.9863990
2      14.4563710             85.4897500
Zn P
2      39.8886830             92.3810770
2      39.6550170            184.7711760
2      15.2905460             23.0025410
2      14.9035240             46.0574270
Zn D
2      43.7082960            -13.6907340
2      43.6985360            -20.5439800
2      15.1507180             -1.3161540
2      15.2824410             -1.8387150
Zn F
2       8.1600140             -0.3703600
2      12.2284220             -1.0629430
end
basis "Ga_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,17d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
Ga    S
     31.6278000              1.000000E+00
Ga    S
      1.575700E+01           1.000000E+00
Ga    S
      7.708400E+00           1.000000E+00
Ga    S
      3.771000E+00           1.000000E+00
Ga    S
      1.844800E+00           1.000000E+00
Ga    S
  58304.0000000              0.0000090
   8750.1100000              0.0000690
   1993.7400000              0.0003380
    561.2110000              0.0011640
    169.4830000              0.0027600
     50.6343000             -0.0303200
     19.7559000             -0.2745810
     10.8801000             -0.2901780
      3.3657300              0.4639660
      1.7863900              0.5555760
Ga    S
      0.9248560              1.0000000
Ga    S
      0.3850520              1.0000000
Ga    S
      0.1974380              1.0000000
Ga    S
      0.0933400              1.0000000
Ga    S
      0.0430420              1.0000000
Ga    P
     35.0808000              1.000000E+00
Ga    P
      1.059290E+01           1.000000E+00
Ga    P
      5.567300E+00           1.000000E+00
Ga    P
      2.926000E+00           1.000000E+00
Ga    P
   1291.8500000              0.0000370
    304.5330000              0.0002530
     65.1240000              0.0063340
     17.7836000             -0.0784410
      5.9599400              0.2364080
      3.1648700              0.4114670
      1.6385500              0.3513880
Ga    P
      1.537800E+00           1.000000E+00
Ga    P
      0.8190480              1.0000000
Ga    P
      0.3407900              1.000000E+00
Ga    P
      0.1498120              1.0000000
Ga    P
      0.0653020              1.0000000
Ga    P
      0.0281860              1.0000000
Ga    D
      9.490200E+00           1.000000E+00
Ga    D
      5.512000E+00           1.000000E+00
Ga    D
    937.3970000              0.0000670
    284.0210000              0.0007100
    111.6010000              0.0049490
     51.9844000              0.0230450
     25.4991000              0.0624300
     12.9757000              0.1369690
      6.7328000              0.2246600
      3.4882900              0.2830560
      1.7778100              0.2811840
Ga    D
      3.201500E+00           1.000000E+00
Ga    D
      1.859500E+00           1.000000E+00
Ga    D
      0.8829960              1.0000000
Ga    D
      0.4202770              1.0000000
Ga    D
      0.1821750              1.0000000
Ga    D
      0.0736000              1.0000000
Ga    F
      1.500550E+01           1.000000E+00
Ga    F
      6.708000E+00           1.000000E+00
Ga    F
      2.998700E+00           1.000000E+00
Ga    F
      1.340500E+00           1.000000E+00
Ga    F
      0.6129000              1.0000000
Ga    F
      0.2939000              1.0000000
Ga    F
      0.1409000              1.0000000
Ga    G
      9.475300E+00           1.000000E+00
Ga    G
      3.795500E+00           1.000000E+00
Ga    G
      1.520400E+00           1.000000E+00
Ga    G
      0.6164000              1.0000000
Ga    G
      0.2816000              1.0000000
Ga    H
      8.065600E+00           1.000000E+00
Ga    H
      1.731500E+00           1.000000E+00
Ga    H
      0.5141000              1.0000000
Ga    I
      1.760000E+00           1.000000E+00
end


ecp "Ga_cc-pwCV5Z-PP"
Ga nelec 10
Ga ul
2       1.0000000              0.0000000
Ga S
2      25.8803610            370.2730400
2       7.9012950              9.1906150
Ga P
2      45.1491900             99.1440010
2      44.9799810            198.2955120
2      17.2242510             28.4456530
2      16.7473290             56.9497050
Ga D
2      51.9688120            -18.1687970
2      51.6291170            -27.3802730
2      15.2417380             -1.5870220
2      15.3201930             -2.5162920
2       4.9185890              0.0831660
2       4.7551030              0.2021980
Ga F
2      10.7622630             -0.6169900
2      19.8529390             -3.1385840
end
basis "Ge_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,17d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
Ge    S
     32.8540000              1.000000E+00
Ge    S
      1.834050E+01           1.000000E+00
Ge    S
      9.355500E+00           1.000000E+00
Ge    S
      4.772200E+00           1.000000E+00
Ge    S
      2.434300E+00           1.000000E+00
Ge    S
  66248.0000000              0.0000130
   9994.2400000              0.0000960
   2275.1400000              0.0004790
    640.9510000              0.0016720
    200.2860000              0.0038160
     52.5937000             -0.0220560
     20.5236000             -0.3135580
     10.8875000             -0.2593200
      4.2006100              0.3017940
      2.3710500              0.5832880
Ge    S
      1.2386500              1.0000000
Ge    S
      0.5524950              1.0000000
Ge    S
      0.2893670              1.0000000
Ge    S
      0.1325360              1.0000000
Ge    S
      0.0593990              1.0000000
Ge    P
     31.3340000              1.000000E+00
Ge    P
      1.189050E+01           1.000000E+00
Ge    P
      6.461800E+00           1.000000E+00
Ge    P
      3.511600E+00           1.000000E+00
Ge    P
   1379.4800000              0.0000430
    323.5350000              0.0003080
     72.2644000              0.0053190
     17.8983000             -0.0723920
      6.9115000              0.1980710
      3.7806700              0.3949700
      1.9881000              0.3764380
Ge    P
      1.908300E+00           1.000000E+00
Ge    P
      1.0090500              1.0000000
Ge    P
      0.4405050              1.000000E+00
Ge    P
      0.2018100              1.0000000
Ge    P
      0.0906810              1.0000000
Ge    P
      0.0397480              1.0000000
Ge    D
      1.118780E+01           1.000000E+00
Ge    D
      6.595300E+00           1.000000E+00
Ge    D
   1096.4900000              0.0000590
    332.6520000              0.0006190
    130.5390000              0.0042520
     60.0855000              0.0209790
     29.8203000              0.0582370
     15.2103000              0.1322000
      7.9346100              0.2229070
      4.1299300              0.2862040
      2.1216500              0.2869280
Ge    D
      3.888000E+00           1.000000E+00
Ge    D
      2.292000E+00           1.000000E+00
Ge    D
      1.0673300              1.0000000
Ge    D
      0.5149340              1.0000000
Ge    D
      0.2231600              1.0000000
Ge    D
      0.0924000              1.0000000
Ge    F
      1.643170E+01           1.000000E+00
Ge    F
      7.404200E+00           1.000000E+00
Ge    F
      3.336400E+00           1.000000E+00
Ge    F
      1.503400E+00           1.000000E+00
Ge    F
      0.6771000              1.0000000
Ge    F
      0.3347000              1.0000000
Ge    F
      0.1655000              1.0000000
Ge    G
      1.053240E+01           1.000000E+00
Ge    G
      4.266900E+00           1.000000E+00
Ge    G
      1.728600E+00           1.000000E+00
Ge    G
      0.6998000              1.0000000
Ge    G
      0.3220000              1.0000000
Ge    H
      9.182000E+00           1.000000E+00
Ge    H
      1.954600E+00           1.000000E+00
Ge    H
      0.5966000              1.0000000
Ge    I
      1.985900E+00           1.000000E+00
end


ecp "Ge_cc-pwCV5Z-PP"
Ge nelec 10
Ge ul
2       1.0000000              0.0000000
Ge S
2      27.2422250            370.2360900
2       7.4679480              9.2146290
Ge P
2      45.5679910             99.1350340
2      45.5175050            198.2714540
2      18.2457690             28.3881210
2      17.6510780             56.8034710
Ge D
2      52.7605980            -17.9670850
2      53.1366630            -26.8155390
2      14.5640790             -1.3838930
2      12.6318570             -2.0726630
2       3.9230420              0.0803340
2       3.7387740              0.2385290
Ge F
2      11.4073780             -0.7056800
2      18.4290540             -2.4759510
end
basis "As_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,17d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
As    S
     34.2712000              1.000000E+00
As    S
      2.048230E+01           1.000000E+00
As    S
      1.064530E+01           1.000000E+00
As    S
      5.532700E+00           1.000000E+00
As    S
      2.875500E+00           1.000000E+00
As    S
  72721.4000000              0.0000190
  10918.7000000              0.0001470
   2483.4900000              0.0007310
    700.2830000              0.0025770
    220.8660000              0.0059010
     54.8624000             -0.0108950
     21.4122000             -0.3326000
     11.2090000             -0.2236930
      4.7090300              0.2724230
      2.6280200              0.5951570
As    S
      1.3773000              1.0000000
As    S
      0.6196870              1.0000000
As    S
      0.3352220              1.0000000
As    S
      0.1581240              1.0000000
As    S
      0.0723260              1.0000000
As    P
     29.8358000              1.000000E+00
As    P
      1.293210E+01           1.000000E+00
As    P
      7.146700E+00           1.000000E+00
As    P
      3.949500E+00           1.000000E+00
As    P
   1376.8400000              0.0000550
    323.2210000              0.0003900
     72.9045000              0.0061360
     18.6028000             -0.0646780
      7.4792200              0.2043790
      4.0732700              0.4029820
      2.1574200              0.3717230
As    P
      2.182700E+00           1.000000E+00
As    P
      1.1145700              1.0000000
As    P
      0.5100210              1.000000E+00
As    P
      0.2397330              1.0000000
As    P
      0.1105710              1.0000000
As    P
      0.0496000              1.0000000
As    D
      1.240600E+01           1.000000E+00
As    D
      7.208700E+00           1.000000E+00
As    D
   1074.5600000              0.0000780
    326.2130000              0.0008150
    128.4700000              0.0054910
     59.3916000              0.0262340
     29.7136000              0.0694970
     15.2633000              0.1468480
      8.0362600              0.2345940
      4.2458500              0.2883830
      2.2284000              0.2762330
As    D
      4.188700E+00           1.000000E+00
As    D
      2.433900E+00           1.000000E+00
As    D
      1.1499100              1.0000000
As    D
      0.5673150              1.0000000
As    D
      0.2468120              1.0000000
As    D
      0.1045000              1.0000000
As    F
      1.815460E+01           1.000000E+00
As    F
      8.261700E+00           1.000000E+00
As    F
      3.759700E+00           1.000000E+00
As    F
      1.710900E+00           1.000000E+00
As    F
      0.7690000              1.0000000
As    F
      0.3928000              1.0000000
As    F
      0.2007000              1.0000000
As    G
      1.178840E+01           1.000000E+00
As    G
      4.842800E+00           1.000000E+00
As    G
      1.989500E+00           1.000000E+00
As    G
      0.8060000              1.0000000
As    G
      0.3781000              1.0000000
As    H
      1.034300E+01           1.000000E+00
As    H
      2.210000E+00           1.000000E+00
As    H
      0.6931000              1.0000000
As    I
      2.257100E+00           1.000000E+00
end


ecp "As_cc-pwCV5Z-PP"
As nelec 10
As ul
2       1.0000000              0.0000000
As S
2      28.7251220            370.1140250
2       6.7676810              9.3492960
As P
2      45.3310640             99.1421030
2      44.7674150            198.3078800
2      19.5390900             28.3830730
2      18.9734710             56.8714640
As D
2      51.0571520            -18.4851450
2      50.1513400            -28.1135300
2      16.1089360             -1.2238950
2      14.6722230             -1.3457650
2       3.8519270              0.1017570
2       3.8135020              0.1703380
As F
2      11.9405840             -0.7752300
2      17.7611600             -2.1572590
end
basis "Se_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,17d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
Se    S
     35.5896000              1.000000E+00
Se    S
      2.380860E+01           1.000000E+00
Se    S
      1.198910E+01           1.000000E+00
Se    S
      6.037300E+00           1.000000E+00
Se    S
      3.040200E+00           1.000000E+00
Se    S
 190762.0000000              0.0000100
  28502.4000000              0.0000750
   6487.7600000              0.0003850
   1840.1800000              0.0014970
    601.0370000              0.0044470
    211.4850000              0.0088430
     22.2449000             -0.3405180
     11.1029000             -0.2268530
      5.9155000              0.2167760
      3.0479900              0.6356320
Se    S
      1.5481700              1.0000000
Se    S
      0.6147930              1.0000000
Se    S
      0.3623130              1.0000000
Se    S
      0.1775170              1.0000000
Se    S
      0.0822260              1.0000000
Se    P
     33.5594000              1.000000E+00
Se    P
      1.362620E+01           1.000000E+00
Se    P
      7.637300E+00           1.000000E+00
Se    P
      4.280600E+00           1.000000E+00
Se    P
   1292.4900000              0.0000790
    305.0160000              0.0005380
     71.1563000              0.0080750
     20.9795000             -0.0709290
      7.9404900              0.2144980
      4.3150100              0.4146170
      2.2857700              0.3654030
Se    P
      2.399200E+00           1.000000E+00
Se    P
      1.1863400              1.0000000
Se    P
      0.5601650              1.000000E+00
Se    P
      0.2639050              1.0000000
Se    P
      0.1215710              1.0000000
Se    P
      0.0544860              1.0000000
Se    D
      1.430240E+01           1.000000E+00
Se    D
      8.366200E+00           1.000000E+00
Se    D
   1240.4300000              0.0000690
    376.7540000              0.0007240
    148.2780000              0.0048330
     67.9348000              0.0239000
     34.3765000              0.0661480
     17.7066000              0.1405730
      9.3670100              0.2302450
      4.9782200              0.2893090
      2.6317300              0.2813860
Se    D
      4.893900E+00           1.000000E+00
Se    D
      2.862700E+00           1.000000E+00
Se    D
      1.3692200              1.0000000
Se    D
      0.6788170              1.0000000
Se    D
      0.2918180              1.0000000
Se    D
      0.1234000              1.0000000
Se    F
      1.982260E+01           1.000000E+00
Se    F
      9.076800E+00           1.000000E+00
Se    F
      4.156300E+00           1.000000E+00
Se    F
      1.903200E+00           1.000000E+00
Se    F
      0.8441000              1.0000000
Se    F
      0.4238000              1.0000000
Se    F
      0.2128000              1.0000000
Se    G
      1.286690E+01           1.000000E+00
Se    G
      5.292600E+00           1.000000E+00
Se    G
      2.177000E+00           1.000000E+00
Se    G
      0.8608000              1.0000000
Se    G
      0.3864000              1.0000000
Se    H
      1.147850E+01           1.000000E+00
Se    H
      2.443300E+00           1.000000E+00
Se    H
      0.7361000              1.0000000
Se    I
      2.566300E+00           1.000000E+00
end


ecp "Se_cc-pwCV5Z-PP"
Se nelec 10
Se ul
2       1.0000000              0.0000000
Se S
2      30.0469900            370.1228880
2       6.9186880             10.4561680
Se P
2      45.7730140             99.1350590
2      45.2946420            198.2924830
2      20.7396480             28.3387470
2      20.0286010             56.7497470
Se D
2      50.9417680            -18.5265560
2      49.5947400            -28.3349210
2      16.3235220             -0.6960890
2      14.4651960             -1.1678910
2       3.7753300              0.0414430
2       3.5019530              0.2355830
Se F
2      11.9508670             -0.7662620
2      17.8107800             -2.1027420
end
basis "Br_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,17d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
Br    S
     37.6333000              1.000000E+00
Br    S
      2.461950E+01           1.000000E+00
Br    S
      1.313180E+01           1.000000E+00
Br    S
      7.004300E+00           1.000000E+00
Br    S
      3.736000E+00           1.000000E+00
Br    S
 200938.0000000              0.0000090
  29988.8000000              0.0000670
   6825.5600000              0.0003470
   1940.5200000              0.0013380
    635.8020000              0.0039120
    224.4040000              0.0075260
     23.5218000             -0.3355150
     11.8595000             -0.2547660
      7.4061100              0.1758060
      3.5814200              0.6294170
Br    S
      1.8335600              1.0000000
Br    S
      0.8030160              1.0000000
Br    S
      0.4622600              1.0000000
Br    S
      0.2196120              1.0000000
Br    S
      0.0997550              1.0000000
Br    P
     37.6058000              1.000000E+00
Br    P
      1.422730E+01           1.000000E+00
Br    P
      8.234300E+00           1.000000E+00
Br    P
      4.765700E+00           1.000000E+00
Br    P
   1328.6400000              0.0000980
    312.5360000              0.0006740
     74.1900000              0.0089480
     23.5026000             -0.0763880
      8.4691300              0.2141130
      4.7068700              0.4033530
      2.5568200              0.3631400
Br    P
      2.758200E+00           1.000000E+00
Br    P
      1.3564700              1.0000000
Br    P
      0.6468200              1.000000E+00
Br    P
      0.3078880              1.0000000
Br    P
      0.1425070              1.0000000
Br    P
      0.0637020              1.0000000
Br    D
      1.596210E+01           1.000000E+00
Br    D
      9.428400E+00           1.000000E+00
Br    D
   1441.5800000              0.0000600
    437.6910000              0.0006250
    172.1530000              0.0041530
     78.2124000              0.0210120
     39.6082000              0.0628140
     20.3440000              0.1358290
     10.7392000              0.2291320
      5.7077300              0.2936930
      3.0219400              0.2863460
Br    D
      5.569100E+00           1.000000E+00
Br    D
      3.289500E+00           1.000000E+00
Br    D
      1.5766900              1.0000000
Br    D
      0.7844110              1.0000000
Br    D
      0.3352350              1.0000000
Br    D
      0.1425000              1.0000000
Br    F
      2.182050E+01           1.000000E+00
Br    F
      1.011430E+01           1.000000E+00
Br    F
      4.688200E+00           1.000000E+00
Br    F
      2.173100E+00           1.000000E+00
Br    F
      0.9583000              1.0000000
Br    F
      0.4974000              1.0000000
Br    F
      0.2582000              1.0000000
Br    G
      1.421750E+01           1.000000E+00
Br    G
      5.926700E+00           1.000000E+00
Br    G
      2.470600E+00           1.000000E+00
Br    G
      0.9721000              1.0000000
Br    G
      0.4390000              1.0000000
Br    H
      1.270430E+01           1.000000E+00
Br    H
      2.733500E+00           1.000000E+00
Br    H
      0.8318000              1.0000000
Br    I
      2.881900E+00           1.000000E+00
end


ecp "Br_cc-pwCV5Z-PP"
Br nelec 10
Br ul
2       1.0000000              0.0000000
Br S
2      70.0242570             49.9628340
2      31.1784120            370.0142050
2       7.1565930             10.2414390
Br P
2      46.7734710             99.1122440
2      46.1841200            198.2530460
2      21.7138580             28.2617400
2      20.9417920             56.6233660
Br D
2      50.6988390            -18.6058530
2      50.6447640            -27.9232800
2      15.4475090             -0.3796930
2      15.5002590             -0.7805830
2       2.8003910              0.0359680
2       1.0774800              0.0943970
Br F
2      14.4656060             -1.0912690
2      21.2340650             -2.8876910
end
basis "Kr_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,17d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
Kr    S
      4.146160E+01           1.000000E+00
Kr    S
      2.768290E+01           1.000000E+00
Kr    S
      1.562770E+01           1.000000E+00
Kr    S
      8.822300E+00           1.000000E+00
Kr    S
      4.980400E+00           1.000000E+00
Kr    S
      1.964150E+05           1.400000E-05
      2.944580E+04           1.120000E-04
      6.706760E+03           5.750000E-04
      1.900010E+03           2.232000E-03
      6.179210E+02           6.493000E-03
      2.168900E+02           1.204800E-02
      2.591280E+01          -2.218010E-01
      1.619240E+01          -2.604670E-01
      1.011512E+01           8.032000E-03
      4.457210E+00           5.683340E-01
Kr    S
      2.2989000              1.0000000
Kr    S
      1.1120300              1.0000000
Kr    S
      0.5849580              1.0000000
Kr    S
      0.2695400              1.0000000
Kr    S
      0.1200660              1.0000000
Kr    P
     41.2326000              1.000000E+00
Kr    P
      1.459910E+01           1.000000E+00
Kr    P
      8.712900E+00           1.000000E+00
Kr    P
      5.200000E+00           1.000000E+00
Kr    P
   1353.1000000              0.0001210
    318.3800000              0.0008350
     76.7397000              0.0100060
     25.7712000             -0.0816420
      9.1185400              0.2117770
      5.1337800              0.4008980
      2.8200200              0.3644850
Kr    P
      3.103400E+00           1.000000E+00
Kr    P
      1.5102200              1.0000000
Kr    P
      0.7289460              1.000000E+00
Kr    P
      0.3497230              1.0000000
Kr    P
      0.1630940              1.0000000
Kr    P
      0.0732740              1.0000000
Kr    D
      1.759390E+01           1.000000E+00
Kr    D
      1.044010E+01           1.000000E+00
Kr    D
   1611.8500000              0.0000560
    489.2450000              0.0005850
    192.5350000              0.0038560
     87.2980000              0.0194460
     44.2590000              0.0613320
     22.8320000              0.1327370
     12.0741000              0.2273220
      6.4274800              0.2958740
      3.4104800              0.2902060
Kr    D
      6.195100E+00           1.000000E+00
Kr    D
      3.676100E+00           1.000000E+00
Kr    D
      1.7856000              1.0000000
Kr    D
      0.8905060              1.0000000
Kr    D
      0.3778270              1.0000000
Kr    D
      0.1613000              1.0000000
Kr    F
      2.412970E+01           1.000000E+00
Kr    F
      1.129770E+01           1.000000E+00
Kr    F
      5.289700E+00           1.000000E+00
Kr    F
      2.476700E+00           1.000000E+00
Kr    F
      1.0893000              1.0000000
Kr    F
      0.5909000              1.0000000
Kr    F
      0.3205000              1.0000000
Kr    G
      1.569050E+01           1.000000E+00
Kr    G
      6.621100E+00           1.000000E+00
Kr    G
      2.794000E+00           1.000000E+00
Kr    G
      1.1008000              1.0000000
Kr    G
      0.5006000              1.0000000
Kr    H
      1.398990E+01           1.000000E+00
Kr    H
      3.049300E+00           1.000000E+00
Kr    H
      0.9459000              1.0000000
Kr    I
      3.217100E+00           1.000000E+00
end


ecp "Kr_cc-pwCV5Z-PP"
Kr nelec 10
Kr ul
2       1.0000000              0.0000000
Kr S
2      70.0344100             49.9538350
2      31.8959710            369.9782380
2       7.3537280             10.0545440
Kr P
2      47.2651830             99.1018330
2      46.6642680            198.2325240
2      23.0081330             28.2046700
2      22.1009790             56.5167920
Kr D
2      50.7681650            -18.5888770
2      50.7822280            -27.8753980
2      15.4794970             -0.2934110
2      15.5593830             -0.4693990
2       2.8771540              0.0688810
2       1.9911960              0.1322700
Kr F
2      15.4375670             -1.2233890
2      22.0557420             -2.9912330
end
basis "Y_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Y    S
      0.6853000              1.0000000
Y    S
      0.4283000              1.0000000
Y    S
  14079.8000000              0.0000020
   2247.3800000              0.0000120
    520.2370000              0.0000550
    150.8110000              0.0001820
     24.5030000              0.0063950
     15.2418000             -0.0507640
      9.5008400              0.1584540
      3.8237200             -0.3025540
      2.2758600             -0.3335140
      1.0644100              0.3230000
      0.5855490              0.6589720
      0.3053020              0.3425110
      0.1209720              0.0313300
      0.0663880             -0.0056260
      0.0328380              0.0038640
Y    S
  14079.8000000             -0.0000020
   2247.3800000             -0.0000070
    520.2370000             -0.0000750
    150.8110000             -0.0000600
     24.5030000             -0.0088600
     15.2418000              0.0549640
      9.5008400             -0.1555790
      3.8237200              0.3733420
      2.2758600              0.1832600
      1.0644100             -0.2559760
      0.5855490             -2.6856670
      0.3053020              3.1169230
      0.1209720              1.4891180
      0.0663880             -3.8710430
      0.0328380              1.1354790
Y    S
  14079.8000000             -0.0000010
   2247.3800000             -0.0000060
    520.2370000             -0.0000390
    150.8110000             -0.0000800
     24.5030000             -0.0044970
     15.2418000              0.0316780
      9.5008400             -0.0959870
      3.8237200              0.2168610
      2.2758600              0.1488480
      1.0644100             -0.1548790
      0.5855490             -0.9680620
      0.3053020             -0.1326710
      0.1209720              1.9311600
      0.0663880              0.0584030
      0.0328380             -1.0476370
Y    S
  14079.8000000             -0.0000010
   2247.3800000             -0.0000040
    520.2370000             -0.0000170
    150.8110000             -0.0000630
     24.5030000             -0.0018670
     15.2418000              0.0154110
      9.5008400             -0.0501630
      3.8237200              0.1063820
      2.2758600              0.1060530
      1.0644100             -0.1261720
      0.5855490             -0.2894070
      0.3053020             -0.2983620
      0.1209720              0.0703960
      0.0663880              0.5421300
      0.0328380              0.5063430
Y    S
  14079.8000000              0.0000010
   2247.3800000              0.0000200
    520.2370000             -0.0000040
    150.8110000              0.0004190
     24.5030000             -0.0035840
     15.2418000             -0.0088590
      9.5008400              0.0927170
      3.8237200             -0.2082400
      2.2758600             -0.7040030
      1.0644100              1.5832420
      0.5855490              2.2439820
      0.3053020             -6.5232510
      0.1209720              7.7285540
      0.0663880             -4.0430630
      0.0328380             -1.8182600
Y    S
  14079.8000000              0.0000010
   2247.3800000             -0.0000700
    520.2370000              0.0002120
    150.8110000             -0.0016450
     24.5030000              0.0374170
     15.2418000             -0.0982160
      9.5008400             -0.0147960
      3.8237200              0.1024510
      2.2758600              2.4700340
      1.0644100            -10.3553030
      0.5855490             13.7413150
      0.3053020             -7.1906790
      0.1209720             -1.6873260
      0.0663880              7.1160260
      0.0328380             -7.0095890
Y    S
      0.0163780              1.0000000
Y    P
      1.9539000              1.0000000
Y    P
      0.9968000              1.0000000
Y    P
     77.9108000              0.0001380
     13.7037000             -0.0025430
      8.5560000              0.0399220
      5.3433500             -0.0836390
      3.1309600             -0.1096760
      1.2481300              0.2329360
      0.7057070              0.4155860
      0.3920400              0.3493680
      0.2128650              0.1423730
      0.1070420              0.0206040
      0.0543460              0.0016540
      0.0277480              0.0004450
Y    P
     77.9108000             -0.0000440
     13.7037000              0.0007800
      8.5560000             -0.0125610
      5.3433500              0.0277150
      3.1309600              0.0321010
      1.2481300             -0.0822140
      0.7057070             -0.1470040
      0.3920400             -0.1728880
      0.2128650             -0.0159480
      0.1070420              0.3279480
      0.0543460              0.5086540
      0.0277480              0.2731240
Y    P
     77.9108000             -0.0000870
     13.7037000              0.0013570
      8.5560000             -0.0263010
      5.3433500              0.0568510
      3.1309600              0.0832770
      1.2481300             -0.1786520
      0.7057070             -0.5462370
      0.3920400             -0.3616030
      0.2128650              1.1540840
      0.1070420              0.6563890
      0.0543460             -0.8183480
      0.0277480             -0.3749600
Y    P
     77.9108000             -0.0001010
     13.7037000             -0.0058350
      8.5560000             -0.0550890
      5.3433500              0.1703450
      3.1309600              0.4395670
      1.2481300             -4.2725720
      0.7057070              6.2343020
      0.3920400             -2.0751110
      0.2128650             -3.4656920
      0.1070420              5.9121840
      0.0543460             -4.7865070
      0.0277480              1.7266830
Y    P
     77.9108000             -0.0003270
     13.7037000              0.0107320
      8.5560000             -0.0873380
      5.3433500              0.1815290
      3.1309600              0.1439620
      1.2481300             -0.8796010
      0.7057070             -1.5966240
      0.3920400              4.8613140
      0.2128650             -3.4449480
      0.1070420             -0.7351070
      0.0543460              2.8678810
      0.0277480             -1.6056420
Y    P
     77.9108000             -0.0001350
     13.7037000              0.0025540
      8.5560000             -0.0373320
      5.3433500              0.0849530
      3.1309600              0.0909480
      1.2481300             -0.2654300
      0.7057070             -1.0981110
      0.3920400              0.8351060
      0.2128650              1.7852520
      0.1070420             -2.0517060
      0.0543460             -0.3318250
      0.0277480              1.0846930
Y    P
      0.0142710              1.0000000
Y    D
      2.0908000              1.0000000
Y    D
      0.7350000              1.0000000
Y    D
     45.4024000              0.0001200
     12.9334000              0.0010990
      4.8006500             -0.0068000
      1.8593400              0.0303570
      1.1169700              0.0992990
      0.6437090              0.1802560
      0.3523490              0.2459700
      0.1853680              0.2811180
      0.0931220              0.2667400
      0.0445400              0.1692660
Y    D
     45.4024000              0.0001950
     12.9334000              0.0016130
      4.8006500             -0.0101290
      1.8593400              0.0537820
      1.1169700              0.1808020
      0.6437090              0.3422230
      0.3523490              0.2506190
      0.1853680             -0.5086550
      0.0931220             -0.6756680
      0.0445400              0.4144900
Y    D
     45.4024000             -0.0001840
     12.9334000             -0.0030890
      4.8006500              0.0194310
      1.8593400             -0.0954860
      1.1169700             -0.3003170
      0.6437090             -0.6932980
      0.3523490              0.7279550
      0.1853680              1.0036120
      0.0931220             -1.1469290
      0.0445400             -0.2917490
Y    D
     45.4024000             -0.0001510
     12.9334000             -0.0012580
      4.8006500              0.0078620
      1.8593400             -0.0402620
      1.1169700             -0.1228420
      0.6437090             -0.2289480
      0.3523490             -0.2879670
      0.1853680             -0.1377670
      0.0931220              0.2766650
      0.0445400              0.5148560
Y    D
     45.4024000             -0.0003570
     12.9334000             -0.0039810
      4.8006500              0.0278630
      1.8593400             -0.1590440
      1.1169700             -0.8147140
      0.6437090             -0.0017590
      0.3523490              2.1872360
      0.1853680             -2.0397820
      0.0931220             -0.0556930
      0.0445400              1.4099920
Y    D
      0.0200680              1.0000000
Y    F
      2.4451000              1.0000000
Y    F
      1.0667000              1.0000000
Y    F
      0.4654000              1.0000000
Y    F
      0.2030000              1.0000000
Y    F
      0.0697000              1.0000000
Y    G
      1.7633000              1.0000000
Y    G
      0.8186000              1.0000000
Y    G
      0.3800000              1.0000000
Y    G
      0.1209000              1.0000000
Y    H
      1.6252000              1.0000000
Y    H
      0.6992000              1.0000000
Y    H
      0.2242000              1.0000000
Y    I
      1.3464000              1.0000000
Y    I
      0.3993000              1.0000000
end


ecp "Y_cc-pwCV5Z-PP"
Y nelec 28
Y ul
2       1.0000000              0.0000000
Y S
2       7.85827500           135.13497400
2       3.38212800            15.41163200
Y P
2       6.84979100            29.25143700
2       6.71009200            58.50836300
2       3.04215900             3.78024300
2       2.93733000             7.67654700
Y D
2       5.41631500            11.84991100
2       5.33341600            17.77810300
2       1.97621200             2.06238300
2       1.96111100             3.07565000
Y F
2       5.02859000            -6.92807800
2       5.00558200            -9.15509900
end
basis "Zr_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Zr    S
      0.7997000              1.0000000
Zr    S
      0.4999000              1.0000000
Zr    S
  15437.5000000              0.0000020
   2465.9700000              0.0000130
    578.6510000              0.0000590
    162.7350000              0.0001980
     26.5335000              0.0066440
     16.5704000             -0.0525730
     10.3303000              0.1634440
      4.1481000             -0.3059450
      2.5161300             -0.3490550
      1.1659700              0.3455410
      0.6451250              0.6639130
      0.3370100              0.3281410
      0.1365970              0.0293880
      0.0726290             -0.0041590
      0.0358930              0.0032740
Zr    S
  15437.5000000             -0.0000020
   2465.9700000             -0.0000100
    578.6510000             -0.0000750
    162.7350000             -0.0001300
     26.5335000             -0.0083810
     16.5704000              0.0560560
     10.3303000             -0.1678690
      4.1481000              0.4051870
      2.5161300              0.2797260
      1.1659700             -0.6336340
      0.6451250             -2.5875580
      0.3370100              3.7335630
      0.1365970              0.3891840
      0.0726290             -3.2884940
      0.0358930              1.4132350
Zr    S
  15437.5000000             -0.0000010
   2465.9700000             -0.0000070
    578.6510000             -0.0000450
    162.7350000             -0.0001000
     26.5335000             -0.0050430
     16.5704000              0.0355610
     10.3303000             -0.1078700
      4.1481000              0.2427640
      2.5161300              0.1748460
      1.1659700             -0.2103000
      0.6451250             -1.1293430
      0.3370100              0.0990480
      0.1365970              1.9494820
      0.0726290             -0.1464570
      0.0358930             -0.9659600
Zr    S
  15437.5000000             -0.0000010
   2465.9700000             -0.0000040
    578.6510000             -0.0000190
    162.7350000             -0.0000700
     26.5335000             -0.0019840
     16.5704000              0.0162570
     10.3303000             -0.0526420
      4.1481000              0.1103950
      2.5161300              0.1116980
      1.1659700             -0.1375420
      0.6451250             -0.3040570
      0.3370100             -0.2837350
      0.1365970              0.0962260
      0.0726290              0.5363000
      0.0358930              0.4913850
Zr    S
  15437.5000000              0.0000010
   2465.9700000              0.0000320
    578.6510000             -0.0000380
    162.7350000              0.0007060
     26.5335000             -0.0109030
     16.5704000              0.0125820
     10.3303000              0.0829970
      4.1481000             -0.1789480
      2.5161300             -1.1538930
      1.1659700              3.5607120
      0.6451250             -0.7683280
      0.3370100             -4.8187130
      0.1365970              8.1060540
      0.0726290             -5.8703430
      0.0358930              0.0251120
Zr    S
  15437.5000000             -0.0000020
   2465.9700000             -0.0000490
    578.6510000              0.0000270
    162.7350000             -0.0010470
     26.5335000              0.0122540
     16.5704000              0.0035430
     10.3303000             -0.1902040
      4.1481000              0.6083250
      2.5161300              1.8067300
      1.1659700            -11.0626930
      0.6451250             17.0783340
      0.3370100            -11.8732290
      0.1365970              4.0836260
      0.0726290              1.6705390
      0.0358930             -4.4656650
Zr    S
      0.0178820              1.0000000
Zr    P
      2.1999000              1.0000000
Zr    P
      1.0028000              1.0000000
Zr    P
     86.6065000              0.0001400
     15.1555000             -0.0027860
      9.4658000              0.0414510
      5.9125200             -0.0844130
      3.4533700             -0.1174270
      1.3761100              0.2476830
      0.7768660              0.4294190
      0.4273720              0.3444380
      0.2277060              0.1265660
      0.1153640              0.0157100
      0.0594000              0.0020970
      0.0308990              0.0000650
Zr    P
     86.6065000             -0.0000620
     15.1555000              0.0011810
      9.4658000             -0.0181900
      5.9125200              0.0389740
      3.4533700              0.0490940
      1.3761100             -0.1251510
      0.7768660             -0.2201010
      0.4273720             -0.2475300
      0.2277060              0.0930910
      0.1153640              0.5777970
      0.0594000              0.4254600
      0.0308990              0.0751780
Zr    P
     86.6065000             -0.0001100
     15.1555000              0.0020370
      9.4658000             -0.0330270
      5.9125200              0.0709340
      3.4533700              0.0977790
      1.3761100             -0.2496370
      0.7768660             -0.6860450
      0.4273720             -0.1064010
      0.2277060              1.4075580
      0.1153640              0.1883270
      0.0594000             -0.8765300
      0.0308990             -0.2006530
Zr    P
     86.6065000              0.0002860
     15.1555000             -0.0058940
      9.4658000              0.0919740
      5.9125200             -0.2208550
      3.4533700             -0.2793470
      1.3761100              2.7044810
      0.7768660             -2.1500230
      0.4273720             -2.6396310
      0.2277060              5.5738310
      0.1153640             -4.0538370
      0.0594000              0.7783170
      0.0308990              0.5650840
Zr    P
     86.6065000             -0.0001910
     15.1555000              0.0042620
      9.4658000             -0.0558950
      5.9125200              0.1186240
      3.4533700              0.1709420
      1.3761100             -0.6916810
      0.7768660             -1.3598380
      0.4273720              2.7069520
      0.2277060             -0.0578670
      0.1153640             -2.2241640
      0.0594000              1.0666880
      0.0308990              0.3815510
Zr    P
     86.6065000             -0.0000440
     15.1555000              0.0008580
      9.4658000             -0.0129840
      5.9125200              0.0279860
      3.4533700              0.0338730
      1.3761100             -0.0874800
      0.7768660             -0.1562140
      0.4273720             -0.1592300
      0.2277060              0.0235440
      0.1153640              0.3088570
      0.0594000              0.4574650
      0.0308990              0.3009240
Zr    P
      0.0158570              1.0000000
Zr    D
      2.4416000              1.0000000
Zr    D
      0.8903000              1.0000000
Zr    D
     49.5067000              0.0001540
     13.9303000              0.0014270
      5.2603900             -0.0095780
      2.0331900              0.0419560
      1.2191700              0.1254610
      0.7111020              0.2125620
      0.3899280              0.2823830
      0.2023760              0.2859490
      0.1018700              0.2155050
      0.0503430              0.1051110
Zr    D
     49.5067000             -0.0003420
     13.9303000             -0.0034860
      5.2603900              0.0250340
      2.0331900             -0.1574730
      1.2191700             -0.4752710
      0.7111020             -0.4707610
      0.3899280              1.2586620
      0.2023760              0.2702640
      0.1018700             -1.2589810
      0.0503430              0.2159450
Zr    D
     49.5067000              0.0002770
     13.9303000              0.0021470
      5.2603900             -0.0149450
      2.0331900              0.0922390
      1.2191700              0.2523180
      0.7111020              0.3886540
      0.3899280              0.0101690
      0.2023760             -0.7329550
      0.1018700             -0.3380690
      0.0503430              0.5765170
Zr    D
     49.5067000             -0.0001900
     13.9303000             -0.0015510
      5.2603900              0.0106460
      2.0331900             -0.0542150
      1.2191700             -0.1539970
      0.7111020             -0.2639730
      0.3899280             -0.2811660
      0.2023760              0.0220550
      0.1018700              0.4048750
      0.0503430              0.4290200
Zr    D
     49.5067000              0.0006720
     13.9303000              0.0040810
      5.2603900             -0.0349770
      2.0331900              0.2975460
      1.2191700              1.1675020
      0.7111020             -1.3250430
      0.3899280             -1.1404310
      0.2023760              2.5067660
      0.1018700             -1.3125060
      0.0503430             -0.4784940
Zr    D
      0.0237770              1.0000000
Zr    F
      3.4153000              1.0000000
Zr    F
      1.5201000              1.0000000
Zr    F
      0.6766000              1.0000000
Zr    F
      0.3011000              1.0000000
Zr    F
      0.1071000              1.0000000
Zr    G
      2.0395000              1.0000000
Zr    G
      1.0051000              1.0000000
Zr    G
      0.4953000              1.0000000
Zr    G
      0.1716000              1.0000000
Zr    H
      1.9304000              1.0000000
Zr    H
      0.8899000              1.0000000
Zr    H
      0.3118000              1.0000000
Zr    I
      1.7158000              1.0000000
Zr    I
      0.5877000              1.0000000
end


ecp "Zr_cc-pwCV5Z-PP"
Zr nelec 28
Zr ul
2       1.0000000              0.0000000
Zr S
2       8.63652800           150.24299400
2       3.71763900            18.78003600
Zr P
2       7.62672800            33.19279100
2       7.45320700            66.38903900
2       3.35838900             4.62072600
2       3.22973800             9.26027000
Zr D
2       5.93808600            13.99338300
2       5.82554400            20.99588200
2       2.20501900             2.28516600
2       2.20629200             3.44126000
Zr F
2       4.80021500            -5.23932000
2       4.79899200            -6.98742400
end
basis "Nb_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Nb    S
      0.9310000              1.0000000
Nb    S
      0.5820000              1.0000000
Nb    S
  16724.4000000              0.0000020
   2802.5700000              0.0000130
    620.6060000              0.0000690
    169.9940000              0.0002180
     28.9091000              0.0066770
     17.9890000             -0.0524340
     11.0810000              0.1685240
      4.5084100             -0.3071400
      2.7740400             -0.3656480
      1.2785800              0.3577500
      0.7104820              0.6677810
      0.3712440              0.3219880
      0.1537620              0.0288090
      0.0799430             -0.0032060
      0.0390490              0.0028630
Nb    S
  16724.4000000             -0.0000020
   2802.5700000             -0.0000130
    620.6060000             -0.0000860
    169.9940000             -0.0001830
     28.9091000             -0.0081350
     17.9890000              0.0565980
     11.0810000             -0.1814640
      4.5084100              0.4395510
      2.7740400              0.3370230
      1.2785800             -0.9136540
      0.7104820             -2.3968250
      0.3712440              3.9390540
      0.1537620             -0.1056110
      0.0799430             -2.9373520
      0.0390490              1.4465500
Nb    S
  16724.4000000             -0.0000010
   2802.5700000             -0.0000080
    620.6060000             -0.0000520
    169.9940000             -0.0001220
     28.9091000             -0.0050290
     17.9890000              0.0359710
     11.0810000             -0.1144670
      4.5084100              0.2525740
      2.7740400              0.2025510
      1.2785800             -0.2624260
      0.7104820             -1.1754450
      0.3712440              0.1947830
      0.1537620              1.8814740
      0.0799430             -0.1487580
      0.0390490             -0.9365280
Nb    S
  16724.4000000             -0.0000010
   2802.5700000             -0.0000050
    620.6060000             -0.0000230
    169.9940000             -0.0000770
     28.9091000             -0.0020080
     17.9890000              0.0163130
     11.0810000             -0.0546570
      4.5084100              0.1123230
      2.7740400              0.1171300
      1.2785800             -0.1444410
      0.7104820             -0.3105620
      0.3712440             -0.2723990
      0.1537620              0.1005350
      0.0799430              0.5285960
      0.0390490              0.4926760
Nb    S
  16724.4000000              0.0000010
   2802.5700000              0.0000370
    620.6060000             -0.0000340
    169.9940000              0.0008940
     28.9091000             -0.0133320
     17.9890000              0.0173350
     11.0810000              0.0954540
      4.5084100             -0.1928160
      2.7740400             -1.4302220
      1.2785800              4.9562710
      0.7104820             -3.0055020
      0.3712440             -3.3620400
      0.1537620              7.7844360
      0.0799430             -6.4326700
      0.0390490              1.0110800
Nb    S
  16724.4000000              0.0000050
   2802.5700000              0.0000240
    620.6060000              0.0001970
    169.9940000              0.0003220
     28.9091000              0.0193240
     17.9890000             -0.1272330
     11.0810000              0.4126080
      4.5084100             -1.3351400
      2.7740400             -0.6681470
      1.2785800             10.4666180
      0.7104820            -18.0167040
      0.3712440             14.2476880
      0.1537620             -7.4149890
      0.0799430              1.6768070
      0.0390490              2.5528660
Nb    S
      0.0192340              1.0000000
Nb    P
      2.3370000              1.0000000
Nb    P
      1.1764000              1.0000000
Nb    P
     94.5740000              0.0001420
     16.5451000             -0.0031230
     10.3353000              0.0437240
      6.4556800             -0.0866590
      3.7818500             -0.1242440
      1.5100900              0.2599500
      0.8529130              0.4352490
      0.4705510              0.3351180
      0.2525070              0.1215810
      0.1277120              0.0157470
      0.0654580              0.0016820
      0.0337640              0.0001400
Nb    P
     94.5740000             -0.0000660
     16.5451000              0.0013990
     10.3353000             -0.0202860
      6.4556800              0.0423910
      3.7818500              0.0552160
      1.5100900             -0.1407040
      0.8529130             -0.2444300
      0.4705510             -0.2446420
      0.2525070              0.1472680
      0.1277120              0.5842200
      0.0654580              0.3942580
      0.0337640              0.0651680
Nb    P
     94.5740000              0.0002510
     16.5451000             -0.0043200
     10.3353000              0.0899560
      6.4556800             -0.2212470
      3.7818500             -0.3110130
      1.5100900              3.0553130
      0.8529130             -3.0340750
      0.4705510             -1.7190450
      0.2525070              5.1664290
      0.1277120             -4.1195420
      0.0654580              0.9937460
      0.0337640              0.4670990
Nb    P
     94.5740000             -0.0001150
     16.5451000              0.0023020
     10.3353000             -0.0357330
      6.4556800              0.0752340
      3.7818500              0.1080190
      1.5100900             -0.2970280
      0.8529130             -0.6997760
      0.4705510              0.0090570
      0.2525070              1.3704750
      0.1277120              0.1113480
      0.0654580             -0.8573660
      0.0337640             -0.1922890
Nb    P
     94.5740000             -0.0001840
     16.5451000              0.0040050
     10.3353000             -0.0585500
      6.4556800              0.1213400
      3.7818500              0.2110750
      1.5100900             -0.9360120
      0.8529130             -1.0533120
      0.4705510              2.7306070
      0.2525070             -0.3402500
      0.1277120             -2.0389740
      0.0654580              1.0662180
      0.0337640              0.3529060
Nb    P
     94.5740000             -0.0000460
     16.5451000              0.0009760
     10.3353000             -0.0139150
      6.4556800              0.0292850
      3.7818500              0.0364390
      1.5100900             -0.0941250
      0.8529130             -0.1629130
      0.4705510             -0.1532280
      0.2525070              0.0361760
      0.1277120              0.3110250
      0.0654580              0.4523680
      0.0337640              0.2988230
Nb    P
      0.0171550              1.0000000
Nb    D
      2.9220000              1.0000000
Nb    D
      1.1484000              1.0000000
Nb    D
    112.0840000              0.0000420
     33.7714000              0.0003440
     12.4751000              0.0022140
      6.3293900             -0.0097510
      2.0214400              0.0761190
      1.1232800              0.2035310
      0.5991810              0.2930090
      0.3098940              0.3059440
      0.1547090              0.2411420
      0.0740910              0.1253140
Nb    D
    112.0840000              0.0000570
     33.7714000              0.0007230
     12.4751000              0.0029330
      6.3293900             -0.0146300
      2.0214400              0.1827690
      1.1232800              0.4323530
      0.5991810              0.2343910
      0.3098940             -0.6322730
      0.1547090             -0.5550090
      0.0740910              0.4840240
Nb    D
    112.0840000             -0.0000690
     33.7714000             -0.0010950
     12.4751000             -0.0038530
      6.3293900              0.0215400
      2.0214400             -0.3290370
      1.1232800             -0.7370970
      0.5991810              0.7345520
      0.3098940              0.9807020
      0.1547090             -1.2603090
      0.0740910             -0.1615170
Nb    D
    112.0840000             -0.0000420
     33.7714000             -0.0004380
     12.4751000             -0.0022120
      6.3293900              0.0103000
      2.0214400             -0.0981300
      1.1232800             -0.2489670
      0.5991810             -0.3295230
      0.3098940             -0.0858720
      0.1547090              0.3473660
      0.0740910              0.4902950
Nb    D
    112.0840000              0.0002360
     33.7714000              0.0007700
     12.4751000              0.0109920
      6.3293900             -0.0489550
      2.0214400              0.9087510
      1.1232800              0.2465580
      0.5991810             -2.4626810
      0.3098940              2.3616380
      0.1547090             -0.3014160
      0.0740910             -1.1843040
Nb    D
      0.0332330              1.0000000
Nb    F
      4.5209000              1.0000000
Nb    F
      2.0218000              1.0000000
Nb    F
      0.9042000              1.0000000
Nb    F
      0.4044000              1.0000000
Nb    F
      0.1467000              1.0000000
Nb    G
      2.3544000              1.0000000
Nb    G
      1.2076000              1.0000000
Nb    G
      0.6194000              1.0000000
Nb    G
      0.2275000              1.0000000
Nb    H
      2.2534000              1.0000000
Nb    H
      1.0850000              1.0000000
Nb    H
      0.4022000              1.0000000
Nb    I
      2.0865000              1.0000000
Nb    I
      0.7952000              1.0000000
end


ecp "Nb_cc-pwCV5Z-PP"
Nb nelec 28
Nb ul
2       1.0000000              0.0000000
Nb S
2       9.37657800           165.15673600
2       4.04357200            21.82395100
Nb P
2       8.36360900            37.24928400
2       8.16689800            74.50738900
2       3.69307500             5.43948600
2       3.55104700            10.91325200
Nb D
2       6.68910800            15.21454900
2       6.53719300            22.83350800
2       2.55111800             3.00005200
2       2.56789600             4.55373400
Nb F
2       5.56828500            -6.28135400
2       5.67137200            -8.75564400
end
basis "Mo_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Mo    S
      1.0902000              1.0000000
Mo    S
      0.6816000              1.0000000
Mo    S
  17946.3000000              0.0000020
   3312.2700000              0.0000140
    681.6260000              0.0000780
    180.1620000              0.0002490
     30.6673000              0.0071150
     19.1509000             -0.0564880
     11.8941000              0.1781580
      4.8981400             -0.3068990
      3.0488500             -0.3822290
      1.3981700              0.3634910
      0.7820320              0.6697260
      0.4090740              0.3223120
      0.1705450              0.0289300
      0.0879630             -0.0031730
      0.0426100              0.0025270
Mo    S
  17946.3000000             -0.0000020
   3312.2700000             -0.0000150
    681.6260000             -0.0000920
    180.1620000             -0.0002730
     30.6673000             -0.0074740
     19.1509000              0.0579880
     11.8941000             -0.1932500
      4.8981400              0.4439590
      3.0488500              0.4359270
      1.3981700             -1.2061380
      0.7820320             -2.1672290
      0.4090740              3.9971280
      0.1705450             -0.3767490
      0.0879630             -2.6529470
      0.0426100              1.3496510
Mo    S
  17946.3000000             -0.0000010
   3312.2700000             -0.0000090
    681.6260000             -0.0000580
    180.1620000             -0.0001500
     30.6673000             -0.0051900
     19.1509000              0.0383330
     11.8941000             -0.1211750
      4.8981400              0.2519100
      3.0488500              0.2282270
      1.3981700             -0.2895420
      0.7820320             -1.1954110
      0.4090740              0.2458690
      0.1705450              1.7947840
      0.0879630             -0.0900170
      0.0426100             -0.9123270
Mo    S
  17946.3000000             -0.0000010
   3312.2700000             -0.0000050
    681.6260000             -0.0000260
    180.1620000             -0.0000870
     30.6673000             -0.0021310
     19.1509000              0.0174860
     11.8941000             -0.0574820
      4.8981400              0.1123150
      3.0488500              0.1215130
      1.3981700             -0.1474560
      0.7820320             -0.3094610
      0.4090740             -0.2639230
      0.1705450              0.0952130
      0.0879630              0.5127540
      0.0426100              0.5003880
Mo    S
  17946.3000000              0.0000010
   3312.2700000              0.0000370
    681.6260000             -0.0000010
    180.1620000              0.0009570
     30.6673000             -0.0129690
     19.1509000              0.0115460
     11.8941000              0.1192690
      4.8981400             -0.1981710
      3.0488500             -1.6808410
      1.3981700              6.1767120
      0.7820320             -5.0128880
      0.4090740             -1.8552510
      0.1705450              7.0831250
      0.0879630             -6.3689880
      0.0426100              1.3848040
Mo    S
  17946.3000000              0.0000120
   3312.2700000             -0.0000230
    681.6260000              0.0006300
    180.1620000             -0.0014220
     30.6673000              0.0933800
     19.1509000             -0.4224160
     11.8941000              0.9137280
      4.8981400             -2.7770120
      3.0488500              1.4805520
      1.3981700              8.7304160
      0.7820320            -17.4963080
      0.4090740             15.3033290
      0.1705450             -9.6104950
      0.0879630              4.1565130
      0.0426100              0.9517470
Mo    S
      0.0208110              1.0000000
Mo    P
      2.4192000              1.0000000
Mo    P
      1.5112000              1.0000000
Mo    P
    102.2090000              0.0001490
     18.0149000             -0.0033980
     11.2538000              0.0452000
      7.0300000             -0.0862460
      4.1583100             -0.1309050
      1.6481100              0.2680230
      0.9379610              0.4347230
      0.5200570              0.3319940
      0.2791940              0.1196780
      0.1411090              0.0152740
      0.0720550              0.0016430
      0.0368770              0.0001240
Mo    P
    102.2090000             -0.0000730
     18.0149000              0.0015950
     11.2538000             -0.0220460
      7.0300000              0.0445480
      4.1583100              0.0614870
      1.6481100             -0.1553960
      0.9379610             -0.2658560
      0.5200570             -0.2329270
      0.2791940              0.1881850
      0.1411090              0.5757960
      0.0720550              0.3740800
      0.0368770              0.0636110
Mo    P
    102.2090000             -0.0005380
     18.0149000              0.0166440
     11.2538000             -0.1479290
      7.0300000              0.3297030
      4.1583100              0.2785650
      1.6481100             -3.7475860
      0.9379610              4.8285370
      0.5200570             -0.3926750
      0.2791940             -3.7726170
      0.1411090              3.6464610
      0.0720550             -1.0065150
      0.0368770             -0.4055450
Mo    P
    102.2090000             -0.0001230
     18.0149000              0.0024130
     11.2538000             -0.0377930
      7.0300000              0.0773360
      4.1583100              0.1215660
      1.6481100             -0.3489250
      0.9379610             -0.7201340
      0.5200570              0.1376370
      0.2791940              1.3208230
      0.1411090              0.0390320
      0.0720550             -0.8284200
      0.0368770             -0.1838630
Mo    P
    102.2090000             -0.0001910
     18.0149000              0.0034760
     11.2538000             -0.0594480
      7.0300000              0.1202930
      4.1583100              0.2507130
      1.6481100             -1.1954440
      0.9379610             -0.7223340
      0.5200570              2.7509010
      0.2791940             -0.6597320
      0.1411090             -1.8013110
      0.0720550              1.0385280
      0.0368770              0.3234930
Mo    P
    102.2090000             -0.0000480
     18.0149000              0.0010590
     11.2538000             -0.0143500
      7.0300000              0.0291870
      4.1583100              0.0383440
      1.6481100             -0.0974270
      0.9379610             -0.1625480
      0.5200570             -0.1479750
      0.2791940              0.0386590
      0.1411090              0.3035940
      0.0720550              0.4473500
      0.0368770              0.3065650
Mo    P
      0.0185410              1.0000000
Mo    D
      3.3586000              1.0000000
Mo    D
      1.2926000              1.0000000
Mo    D
    121.6940000              0.0000430
     37.9153000              0.0003210
     13.8001000              0.0024520
      7.0341100             -0.0129520
      2.2296100              0.0869780
      1.2332600              0.2230470
      0.6580150              0.3057440
      0.3408490              0.3010910
      0.1702370              0.2211450
      0.0814650              0.1061110
Mo    D
    121.6940000              0.0000560
     37.9153000              0.0007130
     13.8001000              0.0032640
      7.0341100             -0.0203340
      2.2296100              0.2195370
      1.2332600              0.4896540
      0.6580150              0.1146290
      0.3408490             -0.7253560
      0.1702370             -0.4021370
      0.0814650              0.5394560
Mo    D
    121.6940000             -0.0001490
     37.9153000             -0.0004390
     13.8001000             -0.0073650
      7.0341100              0.0369350
      2.2296100             -0.3927060
      1.2332600             -0.7854210
      0.6580150              1.1451810
      0.3408490              0.5581360
      0.1702370             -1.2765790
      0.0814650              0.0826430
Mo    D
    121.6940000             -0.0000420
     37.9153000             -0.0003950
     13.8001000             -0.0024260
      7.0341100              0.0136530
      2.2296100             -0.1074850
      1.2332600             -0.2745980
      0.6580150             -0.3226190
      0.3408490             -0.0193610
      0.1702370              0.3880950
      0.0814650              0.4635180
Mo    D
    121.6940000              0.0003820
     37.9153000             -0.0002090
     13.8001000              0.0165020
      7.0341100             -0.0730110
      2.2296100              1.1663390
      1.2332600             -0.3354510
      0.6580150             -2.1052470
      0.3408490              2.6473930
      0.1702370             -0.9034610
      0.0814650             -0.7865590
Mo    D
      0.0364040              1.0000000
Mo    F
      5.4137000              1.0000000
Mo    F
      2.4308000              1.0000000
Mo    F
      1.0914000              1.0000000
Mo    F
      0.4900000              1.0000000
Mo    F
      0.1791000              1.0000000
Mo    G
      2.6569000              1.0000000
Mo    G
      1.3904000              1.0000000
Mo    G
      0.7276000              1.0000000
Mo    G
      0.2731000              1.0000000
Mo    H
      2.5846000              1.0000000
Mo    H
      1.2884000              1.0000000
Mo    H
      0.4989000              1.0000000
Mo    I
      2.5008000              1.0000000
Mo    I
      1.0504000              1.0000000
end


ecp "Mo_cc-pwCV5Z-PP"
Mo nelec 28
Mo ul
2       1.0000000              0.0000000
Mo S
2      10.09700000           180.07685300
2       4.37567000            24.71592000
Mo P
2       9.12656400            41.22767800
2       8.86322300            82.45267000
2       4.04494800             6.34509200
2       3.86665700            12.45842300
Mo D
2       7.53575400            19.30874400
2       7.27897600            28.97767400
2       2.76320500             3.18951600
2       2.77208500             4.70016900
Mo F
2       6.30663300            -7.17888800
2       6.35644800            -9.74597800
end
basis "Tc_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Tc    S
      1.2228000              1.0000000
Tc    S
      0.7645000              1.0000000
Tc    S
  17206.1000000              0.0000030
   2992.5600000              0.0000170
    736.9910000              0.0000800
    205.5530000              0.0002670
     33.2151000              0.0078690
     20.6748000             -0.0601480
     12.9128000              0.1800930
      4.9296000             -0.3959580
      3.0780000             -0.3043510
      1.4330700              0.4631650
      0.7850940              0.6506150
      0.4109580              0.2611890
      0.1635520              0.0193360
      0.0831080             -0.0022600
      0.0412910              0.0023790
Tc    S
  17206.1000000             -0.0000030
   2992.5600000             -0.0000230
    736.9910000             -0.0000720
    205.5530000             -0.0003960
     33.2151000             -0.0046100
     20.6748000              0.0479370
     12.9128000             -0.1744360
      4.9296000              0.4931760
      3.0780000              0.4993970
      1.4330700             -1.9457120
      0.7850940             -1.1774070
      0.4109580              3.8949770
      0.1635520             -1.4291270
      0.0831080             -1.7103600
      0.0412910              1.2744810
Tc    S
  17206.1000000             -0.0000020
   2992.5600000             -0.0000110
    736.9910000             -0.0000590
    205.5530000             -0.0001670
     33.2151000             -0.0056120
     20.6748000              0.0404370
     12.9128000             -0.1218380
      4.9296000              0.3175450
      3.0780000              0.1761190
      1.4330700             -0.4174700
      0.7850940             -1.2362890
      0.4109580              0.6215290
      0.1635520              1.7319950
      0.0831080             -0.4239580
      0.0412910             -0.7662060
Tc    S
  17206.1000000             -0.0000010
   2992.5600000             -0.0000060
    736.9910000             -0.0000250
    205.5530000             -0.0000930
     33.2151000             -0.0022740
     20.6748000              0.0180760
     12.9128000             -0.0566300
      4.9296000              0.1415000
      3.0780000              0.0896770
      1.4330700             -0.1820780
      0.7850940             -0.3110970
      0.4109580             -0.2195910
      0.1635520              0.1661460
      0.0831080              0.5216880
      0.0412910              0.4406250
Tc    S
  17206.1000000             -0.0000030
   2992.5600000             -0.0000400
    736.9910000             -0.0000510
    205.5530000             -0.0007450
     33.2151000              0.0014000
     20.6748000              0.0362900
     12.9128000             -0.2004820
      4.9296000              0.6195120
      3.0780000              1.2301670
      1.4330700             -7.0589450
      0.7850940              8.0335410
      0.4109580             -1.7154560
      0.1635520             -4.7009650
      0.0831080              5.7932860
      0.0412910             -1.9433410
Tc    S
  17206.1000000              0.0000250
   2992.5600000             -0.0001240
    736.9910000              0.0012600
    205.5530000             -0.0035430
     33.2151000              0.1803670
     20.6748000             -0.7581280
     12.9128000              1.3999600
      4.9296000             -5.0560170
      3.0780000              5.9286850
      1.4330700              2.6361380
      0.7850940            -11.8324410
      0.4109580             12.9918620
      0.1635520            -10.5254010
      0.0831080              6.9318900
      0.0412910             -1.1637260
Tc    S
      0.0206960              1.0000000
Tc    P
      2.7547000              1.0000000
Tc    P
      1.7218000              1.0000000
Tc    P
    110.0940000              0.0001580
     19.3763000             -0.0035820
     12.1039000              0.0473040
      7.5605900             -0.0901640
      4.4880700             -0.1347230
      1.8095700              0.2693510
      1.0365700              0.4333910
      0.5792180              0.3307410
      0.3137450              0.1231930
      0.1568500              0.0166350
      0.0791520              0.0012880
      0.0399360              0.0002620
Tc    P
    110.0940000             -0.0000790
     19.3763000              0.0016840
     12.1039000             -0.0237720
      7.5605900              0.0481110
      4.4880700              0.0666930
      1.8095700             -0.1659810
      1.0365700             -0.2832980
      0.5792180             -0.2222080
      0.3137450              0.2074440
      0.1568500              0.5684030
      0.0791520              0.3674650
      0.0399360              0.0638710
Tc    P
    110.0940000             -0.0010540
     19.3763000              0.0402010
     12.1039000             -0.2586290
      7.5605900              0.5555950
      4.4880700              0.1224290
      1.8095700             -4.1679360
      1.0365700              6.0659110
      0.5792180             -1.9093600
      0.3137450             -2.6276470
      0.1568500              3.0442550
      0.0791520             -0.8378840
      0.0399360             -0.4207810
Tc    P
    110.0940000             -0.0002190
     19.3763000              0.0039020
     12.1039000             -0.0643300
      7.5605900              0.1283100
      4.4880700              0.2820210
      1.8095700             -1.3761600
      1.0365700             -0.5105690
      0.5792180              2.7459000
      0.3137450             -0.8167420
      0.1568500             -1.6588020
      0.0791520              0.9996640
      0.0399360              0.3109130
Tc    P
    110.0940000             -0.0001250
     19.3763000              0.0020880
     12.1039000             -0.0385470
      7.5605900              0.0786910
      4.4880700              0.1379870
      1.8095700             -0.3919830
      1.0365700             -0.7350740
      0.5792180              0.2126760
      0.3137450              1.2695030
      0.1568500              0.0245080
      0.0791520             -0.8141240
      0.0399360             -0.1766070
Tc    P
    110.0940000             -0.0000490
     19.3763000              0.0010780
     12.1039000             -0.0146590
      7.5605900              0.0298090
      4.4880700              0.0388170
      1.8095700             -0.0965520
      1.0365700             -0.1579670
      0.5792180             -0.1427920
      0.3137450              0.0305240
      0.1568500              0.2884550
      0.0791520              0.4457180
      0.0399360              0.3220300
Tc    P
      0.0198050              1.0000000
Tc    D
      3.7961000              1.0000000
Tc    D
      1.4726000              1.0000000
Tc    D
    147.8790000              0.0000380
     44.5973000              0.0003130
     15.8122000              0.0024000
      7.7441100             -0.0134860
      2.4373000              0.0953100
      1.3541800              0.2361570
      0.7240750              0.3127100
      0.3757400              0.2948200
      0.1881510              0.2069870
      0.0902200              0.0958940
Tc    D
    147.8790000             -0.0002210
     44.5973000              0.0001240
     15.8122000             -0.0105590
      7.7441100              0.0483530
      2.4373000             -0.5085800
      1.3541800             -0.7230890
      0.7240750              1.4798980
      0.3757400              0.0851340
      0.1881510             -1.1676390
      0.0902200              0.2485510
Tc    D
    147.8790000             -0.0000590
     44.5973000             -0.0006690
     15.8122000             -0.0036400
      7.7441100              0.0229510
      2.4373000             -0.2570080
      1.3541800             -0.5438730
      0.7240750              0.0003200
      0.3757400              0.7907550
      0.1881510              0.2692510
      0.0902200             -0.5643750
Tc    D
    147.8790000             -0.0000380
     44.5973000             -0.0003480
     15.8122000             -0.0024090
      7.7441100              0.0140090
      2.4373000             -0.1101300
      1.3541800             -0.2888920
      0.7240750             -0.3137240
      0.3757400              0.0168230
      0.1881510              0.4061120
      0.0902200              0.4507060
Tc    D
    147.8790000              0.0004320
     44.5973000             -0.0008250
     15.8122000              0.0195710
      7.7441100             -0.0868210
      2.4373000              1.3937670
      1.3541800             -0.9352970
      0.7240750             -1.5827330
      0.3757400              2.6826090
      0.1881510             -1.3200450
      0.0902200             -0.4836410
Tc    D
      0.0403970              1.0000000
Tc    F
      6.2560000              1.0000000
Tc    F
      2.8221000              1.0000000
Tc    F
      1.2731000              1.0000000
Tc    F
      0.5743000              1.0000000
Tc    F
      0.2116000              1.0000000
Tc    G
      2.9896000              1.0000000
Tc    G
      1.6031000              1.0000000
Tc    G
      0.8596000              1.0000000
Tc    G
      0.3322000              1.0000000
Tc    H
      2.9142000              1.0000000
Tc    H
      1.4980000              1.0000000
Tc    H
      0.6024000              1.0000000
Tc    I
      2.8600000              1.0000000
Tc    I
      1.2796000              1.0000000
end


ecp "Tc_cc-pwCV5Z-PP"
Tc nelec 28
Tc ul
2       1.0000000              0.0000000
Tc S
2      10.79936900           195.09130300
2       4.70725700            27.34041300
Tc P
2       9.82669900            45.06081200
2       9.56111500            90.11729500
2       4.37857800             7.07051700
2       4.19090700            14.04801900
Tc D
2       8.33604500            21.65775500
2       8.24453300            32.47195900
2       3.09370700             3.78952500
2       3.16872200             6.05343000
Tc F
2       7.04094000            -7.99562300
2       7.06947300           -10.74569600
end
basis "Ru_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Ru    S
      1.3663000              1.0000000
Ru    S
      0.8544000              1.0000000
Ru    S
  19299.8000000              0.0000030
   3177.3700000              0.0000200
    765.8330000              0.0000950
    211.4960000              0.0003080
     35.0757000              0.0083090
     21.9030000             -0.0632120
     13.6802000              0.1901360
      5.3150900             -0.4067830
      3.3134900             -0.3157160
      1.5814300              0.4593270
      0.8643690              0.6609700
      0.4506120              0.2670720
      0.1789360              0.0199530
      0.0912570             -0.0021010
      0.0451000              0.0026110
Ru    S
  19299.8000000             -0.0000030
   3177.3700000             -0.0000270
    765.8330000             -0.0000770
    211.4960000             -0.0004640
     35.0757000             -0.0034310
     21.9030000              0.0435600
     13.6802000             -0.1685750
      5.3150900              0.4213160
      3.3134900              0.6761790
      1.5814300             -2.1415420
      0.8643690             -0.9179220
      0.4506120              3.5933410
      0.1789360             -1.1992150
      0.0912570             -1.7139110
      0.0451000              1.0266150
Ru    S
  19299.8000000             -0.0000020
   3177.3700000             -0.0000140
    765.8330000             -0.0000720
    211.4960000             -0.0002090
     35.0757000             -0.0060060
     21.9030000              0.0437210
     13.6802000             -0.1337450
      5.3150900              0.3399780
      3.3134900              0.2018620
      1.5814300             -0.4762560
      0.8643690             -1.2530110
      0.4506120              0.6941080
      0.1789360              1.6393940
      0.0912570             -0.3814940
      0.0451000             -0.7088780
Ru    S
  19299.8000000             -0.0000010
   3177.3700000             -0.0000070
    765.8330000             -0.0000300
    211.4960000             -0.0001060
     35.0757000             -0.0023580
     21.9030000              0.0187130
     13.6802000             -0.0590350
      5.3150900              0.1438090
      3.3134900              0.0917470
      1.5814300             -0.1785050
      0.8643690             -0.3084170
      0.4506120             -0.2157970
      0.1789360              0.1485450
      0.0912570              0.4989270
      0.0451000              0.4586780
Ru    S
  19299.8000000              0.0000040
   3177.3700000              0.0000430
    765.8330000              0.0000790
    211.4960000              0.0007840
     35.0757000             -0.0002520
     21.9030000             -0.0414040
     13.6802000              0.2122220
      5.3150900             -0.6129970
      3.3134900             -1.3029140
      1.5814300              6.8391020
      0.8643690             -7.3342220
      0.4506120              1.1444100
      0.1789360              4.6239940
      0.0912570             -4.9835290
      0.0451000              0.9748290
Ru    S
  19299.8000000              0.0000230
   3177.3700000             -0.0000980
    765.8330000              0.0012210
    211.4960000             -0.0032650
     35.0757000              0.1737770
     21.9030000             -0.7367660
     13.6802000              1.3965620
      5.3150900             -4.9906930
      3.3134900              5.7228190
      1.5814300              2.9121610
      0.8643690            -11.6124150
      0.4506120             11.9740470
      0.1789360             -8.5025420
      0.0912570              4.2242350
      0.0451000              0.7743310
Ru    S
      0.0223550              1.0000000
Ru    P
      3.0829000              1.0000000
Ru    P
      1.9274000              1.0000000
Ru    P
    117.2370000              0.0001710
     20.7333000             -0.0037910
     12.9507000              0.0494600
      8.0899500             -0.0935020
      4.8490800             -0.1382150
      1.9778800              0.2683490
      1.1455500              0.4277090
      0.6482270              0.3304950
      0.3551440              0.1309020
      0.1744130              0.0189890
      0.0869520              0.0007960
      0.0431790              0.0004620
Ru    P
    117.2370000             -0.0000900
     20.7333000              0.0017770
     12.9507000             -0.0260710
      8.0899500              0.0524460
      4.8490800              0.0750510
      1.9778800             -0.1829280
      1.1455500             -0.3078280
      0.6482270             -0.2185800
      0.3551440              0.2422150
      0.1744130              0.5764140
      0.0869520              0.3424880
      0.0431790              0.0576060
Ru    P
    117.2370000              0.0017130
     20.7333000             -0.0706410
     12.9507000              0.4067880
      8.0899500             -0.8834800
      4.8490800              0.1779200
      1.9778800              4.3766540
      1.1455500             -7.0040540
      0.6482270              3.1071030
      0.3551440              1.7303090
      0.1744130             -2.5752480
      0.0869520              0.7145120
      0.0431790              0.4369110
Ru    P
    117.2370000             -0.0002780
     20.7333000              0.0057760
     12.9507000             -0.0753300
      8.0899500              0.1453890
      4.8490800              0.3079470
      1.9778800             -1.5692810
      1.1455500             -0.2945160
      0.6482270              2.7715630
      0.3551440             -1.0011960
      0.1744130             -1.5318570
      0.0869520              1.0075060
      0.0431790              0.2768800
Ru    P
    117.2370000             -0.0001290
     20.7333000              0.0015970
     12.9507000             -0.0386800
      8.0899500              0.0772870
      4.8490800              0.1607700
      1.9778800             -0.4461050
      1.1455500             -0.7576460
      0.6482270              0.3046770
      0.3551440              1.2331310
      0.1744130             -0.0284230
      0.0869520             -0.8005390
      0.0431790             -0.1561480
Ru    P
    117.2370000             -0.0000510
     20.7333000              0.0010780
     12.9507000             -0.0146490
      8.0899500              0.0296310
      4.8490800              0.0382110
      1.9778800             -0.0928960
      1.1455500             -0.1473950
      0.6482270             -0.1359030
      0.3551440              0.0164930
      0.1744130              0.2619010
      0.0869520              0.4379230
      0.0431790              0.3491360
Ru    P
      0.0210170              1.0000000
Ru    D
      4.3353000              1.0000000
Ru    D
      1.6813000              1.0000000
Ru    D
    126.3940000              0.0000620
     38.4493000              0.0004470
     14.0214000              0.0046720
      8.7168300             -0.0197340
      2.6814400              0.1027520
      1.4904300              0.2437180
      0.8005330              0.3148070
      0.4157270              0.2913270
      0.2077370              0.1999600
      0.0994320              0.0897340
Ru    D
    126.3940000             -0.0004320
     38.4493000              0.0008930
     14.0214000             -0.0265410
      8.7168300              0.0806860
      2.6814400             -0.6169190
      1.4904300             -0.6312030
      0.8005330              1.5959590
      0.4157270             -0.1385200
      0.2077370             -1.0618020
      0.0994320              0.2800800
Ru    D
    126.3940000             -0.0001260
     38.4493000             -0.0006780
     14.0214000             -0.0084960
      8.7168300              0.0357220
      2.6814400             -0.2630280
      1.4904300             -0.5763400
      0.8005330              0.0800930
      0.4157270              0.7885720
      0.2077370              0.2113330
      0.0994320             -0.5603510
Ru    D
    126.3940000             -0.0000650
     38.4493000             -0.0004850
     14.0214000             -0.0047640
      8.7168300              0.0206400
      2.6814400             -0.1179830
      1.4904300             -0.3073060
      0.8005330             -0.3048730
      0.4157270              0.0527010
      0.2077370              0.4182880
      0.0994320              0.4296250
Ru    D
    126.3940000              0.0007420
     38.4493000             -0.0022720
     14.0214000              0.0464760
      8.7168300             -0.1390570
      2.6814400              1.5532480
      1.4904300             -1.3228490
      0.8005330             -1.1972270
      0.4157270              2.5728670
      0.2077370             -1.4467020
      0.0994320             -0.3538990
Ru    D
      0.0445150              1.0000000
Ru    F
      7.0557000              1.0000000
Ru    F
      3.2091000              1.0000000
Ru    F
      1.4596000              1.0000000
Ru    F
      0.6639000              1.0000000
Ru    F
      0.2473000              1.0000000
Ru    G
      3.3348000              1.0000000
Ru    G
      1.8325000              1.0000000
Ru    G
      1.0070000              1.0000000
Ru    G
      0.4002000              1.0000000
Ru    H
      3.2559000              1.0000000
Ru    H
      1.7257000              1.0000000
Ru    H
      0.7182000              1.0000000
Ru    I
      3.2200000              1.0000000
Ru    I
      1.5211000              1.0000000
end


ecp "Ru_cc-pwCV5Z-PP"
Ru nelec 28
Ru ul
2       1.0000000              0.0000000
Ru S
2      11.50059000           209.78649300
2       5.06857500            30.21430700
Ru P
2      10.53263400            48.75124400
2      10.19201000            97.49652900
2       4.73489200             7.86018800
2       4.50906500            15.32975100
Ru D
2       8.87797700            26.96750600
2       8.76612200            40.43230300
2       3.17019600             3.34075800
2       3.22885100             5.25635200
Ru F
2       7.82024900            -8.84752500
2       7.83964700           -11.83551800
end
basis "Rh_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Rh    S
      1.5004000              1.0000000
Rh    S
      0.9383000              1.0000000
Rh    S
  21832.7000000              0.0000030
   3389.9700000              0.0000240
    781.0700000              0.0001140
    216.0190000              0.0003550
     37.1478000              0.0085080
     23.1083000             -0.0660950
     14.4317000              0.2021170
      5.8301800             -0.3922910
      3.6414400             -0.3497620
      1.7443600              0.4436390
      0.9544830              0.6724460
      0.4957220              0.2789020
      0.1972170              0.0213410
      0.1007830             -0.0021650
      0.0493120              0.0028100
Rh    S
  21832.7000000             -0.0000020
   3389.9700000             -0.0000170
    781.0700000             -0.0000850
    216.0190000             -0.0002460
     37.1478000             -0.0059450
     23.1083000              0.0447560
     14.4317000             -0.1402840
      5.8301800              0.3199220
      3.6414400              0.2438410
      1.7443600             -0.4808860
      0.9544830             -1.2151130
      0.4957220              0.6314320
      0.1972170              1.5229110
      0.1007830             -0.2015840
      0.0493120             -0.6713180
Rh    S
  21832.7000000             -0.0000030
   3389.9700000             -0.0000290
    781.0700000             -0.0000950
    216.0190000             -0.0004910
     37.1478000             -0.0035990
     23.1083000              0.0443220
     14.4317000             -0.1707100
      5.8301800              0.3489400
      3.6414400              0.7684870
      1.7443600             -2.0291740
      0.9544830             -0.9961410
      0.4957220              3.2909150
      0.1972170             -0.6266260
      0.1007830             -1.9269000
      0.0493120              0.7139260
Rh    S
  21832.7000000             -0.0000010
   3389.9700000             -0.0000080
    781.0700000             -0.0000360
    216.0190000             -0.0001200
     37.1478000             -0.0023870
     23.1083000              0.0193000
     14.4317000             -0.0618830
      5.8301800              0.1369210
      3.6414400              0.1016360
      1.7443600             -0.1709760
      0.9544830             -0.3020800
      0.4957220             -0.2162190
      0.1972170              0.1234140
      0.1007830              0.4756350
      0.0493120              0.4790980
Rh    S
  21832.7000000              0.0000040
   3389.9700000              0.0000480
    781.0700000              0.0000980
    216.0190000              0.0008910
     37.1478000             -0.0014470
     23.1083000             -0.0375770
     14.4317000              0.2101840
      5.8301800             -0.4611150
      3.6414400             -1.6108260
      1.7443600              6.8065790
      0.9544830             -6.5983950
      0.4957220              0.3159030
      0.1972170              4.7149700
      0.1007830             -4.2251970
      0.0493120              0.1371840
Rh    S
  21832.7000000              0.0000210
   3389.9700000             -0.0000690
    781.0700000              0.0012120
    216.0190000             -0.0030230
     37.1478000              0.1639110
     23.1083000             -0.7163330
     14.4317000              1.4184520
      5.8301800             -4.7358790
      3.6414400              4.9303180
      1.7443600              4.0258820
      0.9544830            -12.2373550
      0.4957220             11.5918450
      0.1972170             -7.0765130
      0.1007830              2.2917410
      0.0493120              1.9790030
Rh    S
      0.0241430              1.0000000
Rh    P
      3.3576000              1.0000000
Rh    P
      2.0995000              1.0000000
Rh    P
    126.8950000              0.0001770
     22.1563000             -0.0038910
     13.8416000              0.0512340
      8.6498500             -0.0967430
      5.2356500             -0.1392860
      2.0960100              0.2960810
      1.1856100              0.4480270
      0.6548460              0.3157510
      0.3507950              0.1047680
      0.1768320              0.0124100
      0.0893810              0.0014220
      0.0449290              0.0000690
Rh    P
    126.8950000             -0.0000980
     22.1563000              0.0018920
     13.8416000             -0.0283260
      8.6498500              0.0568270
      5.2356500              0.0808640
      2.0960100             -0.2178660
      1.1856100             -0.3557870
      0.6548460             -0.1484260
      0.3507950              0.3299460
      0.1768320              0.5494040
      0.0893810              0.2856970
      0.0449290              0.0470300
Rh    P
    126.8950000              0.0027350
     22.1563000             -0.1231310
     13.8416000              0.6519300
      8.6498500             -1.4266700
      5.2356500              0.7856840
      2.0960100              3.8575010
      1.1856100             -7.3253360
      0.6548460              4.8205480
      0.3507950              0.0773280
      0.1768320             -2.0257170
      0.0893810              0.7522250
      0.0449290              0.3812670
Rh    P
    126.8950000             -0.0001270
     22.1563000              0.0010390
     13.8416000             -0.0381160
      8.6498500              0.0742070
      5.2356500              0.1808650
      2.0960100             -0.5557710
      1.1856100             -0.7574480
      0.6548460              0.6581560
      0.3507950              1.0716110
      0.1768320             -0.2632840
      0.0893810             -0.7078180
      0.0449290             -0.1314850
Rh    P
    126.8950000              0.0003070
     22.1563000             -0.0066540
     13.8416000              0.0820080
      8.6498500             -0.1565480
      5.2356500             -0.3241510
      2.0960100              1.8842890
      1.1856100             -0.4041380
      0.6548460             -2.5452610
      0.3507950              1.6096150
      0.1768320              1.0050700
      0.0893810             -0.9612990
      0.0449290             -0.2291410
Rh    P
    126.8950000              0.0000550
     22.1563000             -0.0011520
     13.8416000              0.0156510
      8.6498500             -0.0316240
      5.2356500             -0.0394170
      2.0960100              0.1048950
      1.1856100              0.1629630
      0.6548460              0.1292980
      0.3507950             -0.0504110
      0.1768320             -0.2914830
      0.0893810             -0.4350730
      0.0449290             -0.3172440
Rh    P
      0.0221180              1.0000000
Rh    D
      4.6074000              1.0000000
Rh    D
      1.8944000              1.0000000
Rh    D
    169.5310000              0.0000510
     51.2417000              0.0004110
     18.0404000              0.0030420
      8.5880400             -0.0166720
      2.9496700              0.1032810
      1.6544200              0.2481940
      0.8904260              0.3174060
      0.4633730              0.2885080
      0.2323630              0.1951360
      0.1115080              0.0869160
Rh    D
    169.5310000             -0.0003860
     51.2417000              0.0006740
     18.0404000             -0.0174990
      8.5880400              0.0777310
      2.9496700             -0.7081600
      1.6544200             -0.5498590
      0.8904260              1.6977800
      0.4633730             -0.3294410
      0.2323630             -0.9849480
      0.1115080              0.3255790
Rh    D
    169.5310000             -0.0001100
     51.2417000             -0.0005680
     18.0404000             -0.0059100
      8.5880400              0.0317740
      2.9496700             -0.2642410
      1.6544200             -0.5975800
      0.8904260              0.1355410
      0.4633730              0.7913050
      0.2323630              0.1657550
      0.1115080             -0.5661660
Rh    D
    169.5310000             -0.0000540
     51.2417000             -0.0004690
     18.0404000             -0.0032240
      8.5880400              0.0181670
      2.9496700             -0.1263380
      1.6544200             -0.3264720
      0.8904260             -0.2963840
      0.4633730              0.0852360
      0.2323630              0.4211570
      0.1115080              0.4122960
Rh    D
    169.5310000              0.0005000
     51.2417000             -0.0007080
     18.0404000              0.0238930
      8.5880400             -0.1199090
      2.9496700              1.7336230
      1.6544200             -1.7712510
      0.8904260             -0.7479950
      0.4633730              2.4181170
      0.2323630             -1.5548010
      0.1115080             -0.2245550
Rh    D
      0.0498560              1.0000000
Rh    F
      8.0050000              1.0000000
Rh    F
      3.6600000              1.0000000
Rh    F
      1.6734000              1.0000000
Rh    F
      0.7651000              1.0000000
Rh    F
      0.2872000              1.0000000
Rh    G
      3.7085000              1.0000000
Rh    G
      2.0735000              1.0000000
Rh    G
      1.1593000              1.0000000
Rh    G
      0.4680000              1.0000000
Rh    H
      3.6082000              1.0000000
Rh    H
      1.9585000              1.0000000
Rh    H
      0.8332000              1.0000000
Rh    I
      3.5602000              1.0000000
Rh    I
      1.7562000              1.0000000
end


ecp "Rh_cc-pwCV5Z-PP"
Rh nelec 28
Rh ul
2       1.0000000              0.0000000
Rh S
2      12.19481600           225.31205400
2       5.40513700            32.44158200
Rh P
2      11.28075500            52.87282600
2      10.92724800           105.74552600
2       5.09011700             8.61934400
2       4.85183200            16.97345900
Rh D
2       9.13633700            25.10850100
2       8.96480800            37.69573100
2       3.64361200             4.20258400
2       3.63600700             6.29279000
Rh F
2       8.61622800            -9.67356800
2       8.62943500           -12.89984700
end
basis "Pd_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Pd    S
      1.6504000              1.0000000
Pd    S
      1.0323000              1.0000000
Pd    S
  23205.8000000              0.0000040
   3771.3900000              0.0000260
    844.9990000              0.0001310
    225.9440000              0.0004110
     38.8963000              0.0090500
     24.1744000             -0.0704390
     15.0365000              0.2205020
      6.3733900             -0.3870080
      3.9804400             -0.3797990
      1.9137000              0.4295680
      1.0468500              0.6843810
      0.5411240              0.2882870
      0.2196040              0.0221970
      0.1112430             -0.0015960
      0.0534930              0.0027420
Pd    S
  23205.8000000             -0.0000030
   3771.3900000             -0.0000180
    844.9990000             -0.0000910
    225.9440000             -0.0002830
     38.8963000             -0.0057460
     24.1744000              0.0444640
     15.0365000             -0.1445380
      6.3733900              0.2911970
      3.9804400              0.2762860
      1.9137000             -0.4601500
      1.0468500             -1.1330410
      0.5411240              0.4924230
      0.2196040              1.3766480
      0.1112430              0.0484350
      0.0534930             -0.6259790
Pd    S
  23205.8000000             -0.0000030
   3771.3900000             -0.0000290
    844.9990000             -0.0001140
    225.9440000             -0.0005170
     38.8963000             -0.0045640
     24.1744000              0.0489840
     15.0365000             -0.1846820
      6.3733900              0.3146920
      3.9804400              0.8163900
      1.9137000             -1.8779410
      1.0468500             -1.1420460
      0.5411240              3.0474940
      0.2196040             -0.1049950
      0.1112430             -2.0487230
      0.0534930              0.3851940
Pd    S
  23205.8000000             -0.0000010
   3771.3900000             -0.0000080
    844.9990000             -0.0000400
    225.9440000             -0.0001360
     38.8963000             -0.0024860
     24.1744000              0.0201470
     15.0365000             -0.0662560
      6.3733900              0.1325870
      3.9804400              0.1092390
      1.9137000             -0.1627670
      1.0468500             -0.2960000
      0.5411240             -0.2160960
      0.2196040              0.0963740
      0.1112430              0.4558370
      0.0534930              0.4989750
Pd    S
  23205.8000000              0.0000050
   3771.3900000              0.0000500
    844.9990000              0.0001360
    225.9440000              0.0009530
     38.8963000              0.0001240
     24.1744000             -0.0460830
     15.0365000              0.2371650
      6.3733900             -0.3984760
      3.9804400             -1.8326780
      1.9137000              6.8724880
      1.0468500             -6.1783150
      0.5411240             -0.2248680
      0.2196040              4.6156480
      0.1112430             -3.4660850
      0.0534930             -0.4541080
Pd    S
  23205.8000000              0.0000210
   3771.3900000             -0.0000440
    844.9990000              0.0011420
    225.9440000             -0.0025270
     38.8963000              0.1585010
     24.1744000             -0.7129760
     15.0365000              1.4991850
      6.3733900             -4.6944470
      3.9804400              4.5188420
      1.9137000              4.6444410
      1.0468500            -12.5365850
      0.5411240             11.3925910
      0.2196040             -6.2020290
      0.1112430              1.0900570
      0.0534930              2.5822440
Pd    S
      0.0257800              1.0000000
Pd    P
      2.0291000              1.0000000
Pd    P
      1.2679000              1.0000000
Pd    P
    135.2730000              0.0001860
     23.0761000             -0.0042710
     14.4134000              0.0572330
      9.0041900             -0.1141790
      5.4158400             -0.1393110
      2.3507900              0.2759960
      1.3344000              0.4534040
      0.7335470              0.3309520
      0.3901660              0.1132910
      0.1885570              0.0133410
      0.0914820              0.0008830
      0.0443940              0.0001700
Pd    P
    135.2730000             -0.0001040
     23.0761000              0.0019740
     14.4134000             -0.0321810
      9.0041900              0.0679970
      5.4158400              0.0879620
      2.3507900             -0.2180220
      1.3344000             -0.3798210
      0.7335470             -0.1555920
      0.3901660              0.3620100
      0.1885570              0.5655060
      0.0914820              0.2574090
      0.0443940              0.0354870
Pd    P
    135.2730000              0.0026410
     23.0761000             -0.1240410
     14.4134000              0.6943910
      9.0041900             -1.6053290
      5.4158400              0.9787740
      2.3507900              3.7381710
      1.3344000             -7.0266130
      0.7335470              4.4199910
      0.3901660              0.2264390
      0.1885570             -2.0342680
      0.0914820              0.8948020
      0.0443940              0.2625200
Pd    P
    135.2730000             -0.0001310
     23.0761000              0.0009520
     14.4134000             -0.0422710
      9.0041900              0.0863860
      5.4158400              0.2024090
      2.3507900             -0.5619670
      1.3344000             -0.7866710
      0.7335470              0.6594830
      0.3901660              1.0680100
      0.1885570             -0.3256270
      0.0914820             -0.6924840
      0.0443940             -0.0896270
Pd    P
    135.2730000             -0.0003150
     23.0761000              0.0070780
     14.4134000             -0.0921880
      9.0041900              0.1858700
      5.4158400              0.3626280
      2.3507900             -1.9075530
      1.3344000              0.2850310
      0.7335470              2.6540280
      0.3901660             -1.6918510
      0.1885570             -0.9002340
      0.0914820              0.9919570
      0.0443940              0.1504650
Pd    P
    135.2730000              0.0000520
     23.0761000             -0.0011170
     14.4134000              0.0158880
      9.0041900             -0.0339130
      5.4158400             -0.0359330
      2.3507900              0.0898220
      1.3344000              0.1469780
      0.7335470              0.1251760
      0.3901660             -0.0286040
      0.1885570             -0.2727070
      0.0914820             -0.4437890
      0.0443940             -0.3369100
Pd    P
      0.0213240              1.0000000
Pd    D
      1.6242000              1.0000000
Pd    D
      0.8212000              1.0000000
Pd    D
    167.0870000              0.0000670
     50.0032000              0.0005480
     16.8214000              0.0048040
      8.3725000             -0.0260080
      3.2530000              0.1117880
      1.8099900              0.2537740
      0.9770620              0.3178150
      0.5108750              0.2844650
      0.2575330              0.1902230
      0.1240940              0.0840140
Pd    D
    167.0870000             -0.0004510
     50.0032000              0.0004420
     16.8214000             -0.0252640
      8.3725000              0.1211200
      3.2530000             -0.8240850
      1.8099900             -0.4459430
      0.9770620              1.7601450
      0.5108750             -0.4859570
      0.2575330             -0.9235150
      0.1240940              0.3647560
Pd    D
    167.0870000             -0.0001380
     50.0032000             -0.0007620
     16.8214000             -0.0090550
      8.3725000              0.0494340
      3.2530000             -0.2791340
      1.8099900             -0.6165230
      0.9770620              0.1959360
      0.5108750              0.7916730
      0.2575330              0.1203390
      0.1240940             -0.5738380
Pd    D
    167.0870000              0.0004100
     50.0032000              0.0008160
     16.8214000              0.0269820
      8.3725000             -0.1669320
      3.2530000              1.9129540
      1.8099900             -2.1612950
      0.9770620             -0.3296250
      0.5108750              2.2594400
      0.2575330             -1.6367960
      0.1240940             -0.1129480
Pd    D
    167.0870000             -0.0000710
     50.0032000             -0.0006690
     16.8214000             -0.0050930
      8.3725000              0.0289100
      3.2530000             -0.1420360
      1.8099900             -0.3472040
      0.9770620             -0.2840980
      0.5108750              0.1173250
      0.2575330              0.4242370
      0.1240940              0.3951490
Pd    D
      0.0555480              1.0000000
Pd    F
      8.9283000              1.0000000
Pd    F
      4.1037000              1.0000000
Pd    F
      1.8861000              1.0000000
Pd    F
      0.8669000              1.0000000
Pd    F
      0.3284000              1.0000000
Pd    G
      4.0114000              1.0000000
Pd    G
      2.2923000              1.0000000
Pd    G
      1.3099000              1.0000000
Pd    G
      0.5403000              1.0000000
Pd    H
      3.9627000              1.0000000
Pd    H
      2.1995000              1.0000000
Pd    H
      0.9498000              1.0000000
Pd    I
      3.8991000              1.0000000
Pd    I
      2.0051000              1.0000000
end


ecp "Pd_cc-pwCV5Z-PP"
Pd nelec 28
Pd ul
2       1.0000000              0.0000000
Pd S
2      12.79882500           240.26278900
2       5.80052800            34.72996100
Pd P
2      11.87469700            56.74692900
2      11.47433500           113.44441700
2       5.51599900             9.34563900
2       5.24804300            18.34544700
Pd D
2       8.50221200            28.59555400
2       7.98332400            43.45392100
2       3.10762800             1.85228600
2       2.47673400             1.40676500
Pd F
2       9.67957100           -10.98725500
2       9.69134900           -14.62619000
end
basis "Ag_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Ag    S
      1.6649000              1.0000000
Ag    S
      1.0415000              1.0000000
Ag    S
  25508.1000000              0.0000040
   3866.3000000              0.0000280
    865.7950000              0.0001350
    233.7790000              0.0004160
     37.2712000              0.0127210
     23.2321000             -0.1060860
     14.4818000              0.3478570
      7.3301500             -0.4498720
      4.5473600             -0.4203070
      2.0080500              0.4493320
      1.1266200              0.6736920
      0.5879060              0.2820160
      0.2291650              0.0195830
      0.1193530             -0.0022100
      0.0574270              0.0027200
Ag    S
  25508.1000000             -0.0000020
   3866.3000000             -0.0000170
    865.7950000             -0.0000820
    233.7790000             -0.0002540
     37.2712000             -0.0069860
     23.2321000              0.0587420
     14.4818000             -0.2016470
      7.3301500              0.2988210
      4.5473600              0.2442880
      2.0080500             -0.3773370
      1.1266200             -0.9639450
      0.5879060              0.3002400
      0.2291650              1.2470290
      0.1193530              0.2516930
      0.0574270             -0.5123710
Ag    S
  25508.1000000             -0.0000040
   3866.3000000             -0.0000300
    865.7950000             -0.0001270
    233.7790000             -0.0004850
     37.2712000             -0.0087960
     23.2321000              0.0844370
     14.4818000             -0.3097690
      7.3301500              0.4106920
      4.5473600              0.7069170
      2.0080500             -1.6230910
      1.1266200             -1.3670390
      0.5879060              2.8875900
      0.2291650              0.3739690
      0.1193530             -2.0992070
      0.0574270              0.0811730
Ag    S
  25508.1000000             -0.0000010
   3866.3000000             -0.0000090
    865.7950000             -0.0000390
    233.7790000             -0.0001340
     37.2712000             -0.0032320
     23.2321000              0.0285990
     14.4818000             -0.0993380
      7.3301500              0.1440280
      4.5473600              0.1160400
      2.0080500             -0.1592840
      1.1266200             -0.2796960
      0.5879060             -0.2088490
      0.2291650              0.0876200
      0.1193530              0.4317620
      0.0574270              0.5040820
Ag    S
  25508.1000000              0.0000040
   3866.3000000              0.0000500
    865.7950000              0.0001230
    233.7790000              0.0009330
     37.2712000              0.0002690
     23.2321000             -0.0650020
     14.4818000              0.3349260
      7.3301500             -0.3194330
      4.5473600             -1.8296210
      2.0080500              6.6173400
      1.1266200             -5.7144920
      0.5879060             -0.6955270
      0.2291650              4.6598300
      0.1193530             -3.0805350
      0.0574270             -0.9140990
Ag    S
  25508.1000000              0.0000170
   3866.3000000             -0.0000190
    865.7950000              0.0009450
    233.7790000             -0.0016800
     37.2712000              0.1524090
     23.2321000             -0.7759530
     14.4818000              1.9303510
      7.3301500             -4.2339830
      4.5473600              2.6067280
      2.0080500              7.2255220
      1.1266200            -14.6194840
      0.5879060             11.5983870
      0.2291650             -5.3179280
      0.1193530              0.0988350
      0.0574270              3.1887390
Ag    S
      0.0274470              1.0000000
Ag    P
      3.8457000              1.0000000
Ag    P
      2.4086000              1.0000000
Ag    P
    260.3710000              0.0000690
     41.8770000              0.0022080
     26.0818000             -0.0147130
     16.2999000              0.0615000
      7.3321200             -0.2486090
      3.6115300             -0.0118610
      2.2577400              0.4010540
      1.1956300              0.4854900
      0.6173070              0.2548630
      0.2882140              0.0438670
      0.1338710              0.0004240
      0.0606670              0.0010760
Ag    P
    260.3710000             -0.0000430
     41.8770000             -0.0008860
     26.0818000              0.0065390
     16.2999000             -0.0310780
      7.3321200              0.1388240
      3.6115300              0.0073970
      2.2577400             -0.2866860
      1.1956300             -0.3796850
      0.6173070              0.0463330
      0.2882140              0.5493950
      0.1338710              0.4688010
      0.0606670              0.1012000
Ag    P
    260.3710000             -0.0000760
     41.8770000             -0.0015200
     26.0818000              0.0113040
     16.2999000             -0.0549030
      7.3321200              0.2531400
      3.6115300              0.0793900
      2.2577400             -0.8748950
      1.1956300             -0.4976100
      0.6173070              1.2448050
      0.2882140              0.5008560
      0.1338710             -0.8438290
      0.0606670             -0.2683590
Ag    P
    260.3710000              0.0001220
     41.8770000              0.0020380
     26.0818000             -0.0168560
     16.2999000              0.0870650
      7.3321200             -0.4436140
      3.6115300             -0.0954220
      2.2577400              2.4160670
      1.1956300             -1.9911940
      0.6173070             -1.0682060
      0.2882140              2.2401820
      0.1338710             -0.6925270
      0.0606670             -0.5043030
Ag    P
    260.3710000             -0.0002500
     41.8770000              0.0290440
     26.0818000             -0.1328380
     16.2999000              0.3460190
      7.3321200             -1.5383300
      3.6115300              3.6966010
      2.2577400             -0.9815190
      1.1956300             -4.0384050
      0.6173070              4.6615100
      0.2882140             -2.0830800
      0.1338710             -0.3652860
      0.0606670              0.8759320
Ag    P
    260.3710000             -0.0000210
     41.8770000             -0.0004160
     26.0818000              0.0031050
     16.2999000             -0.0149150
      7.3321200              0.0668090
      3.6115300             -0.0026860
      2.2577400             -0.1167180
      1.1956300             -0.1647480
      0.6173070             -0.0798760
      0.2882140              0.1495800
      0.1338710              0.4198200
      0.0606670              0.4512040
Ag    P
      0.0269870              1.0000000
Ag    D
      5.3756000              1.0000000
Ag    D
      2.4802000              1.0000000
Ag    D
    210.1510000              0.0000520
     63.2213000              0.0004340
     22.1947000              0.0029780
      9.1637800             -0.0210360
      3.6926500              0.0894730
      2.1724700              0.2311140
      1.2150400              0.3114170
      0.6545310              0.2939390
      0.3396100              0.2033710
      0.1684380              0.0909880
Ag    D
    210.1510000             -0.0004150
     63.2213000              0.0006290
     22.1947000             -0.0178470
      9.1637800              0.1162800
      3.6926500             -0.8457040
      2.1724700             -0.5895720
      1.2150400              2.0652320
      0.6545310             -0.6109170
      0.3396100             -1.0511820
      0.1684380              0.5253630
Ag    D
    210.1510000             -0.0000660
     63.2213000             -0.0005960
     22.1947000             -0.0037550
      9.1637800              0.0277510
      3.6926500             -0.1382930
      2.1724700             -0.3844080
      1.2150400             -0.3282910
      0.6545310              0.1446150
      0.3396100              0.4584850
      0.1684380              0.3562670
Ag    D
    210.1510000             -0.0001370
     63.2213000             -0.0004700
     22.1947000             -0.0067560
      9.1637800              0.0471090
      3.6926500             -0.2590530
      2.1724700             -0.6886270
      1.2150400              0.2530610
      0.6545310              0.8530670
      0.3396100              0.0652370
      0.1684380             -0.6296830
Ag    D
    210.1510000              0.0003520
     63.2213000              0.0007750
     22.1947000              0.0185820
      9.1637800             -0.1729500
      3.6926500              2.3357180
      2.1724700             -2.8172180
      1.2150400             -0.1337660
      0.6545310              2.5210640
      0.3396100             -1.9791920
      0.1684380              0.0719550
Ag    D
      0.0778390              1.0000000
Ag    F
     10.0762000              1.0000000
Ag    F
      4.6481000              1.0000000
Ag    F
      2.1441000              1.0000000
Ag    F
      0.9891000              1.0000000
Ag    F
      0.3785000              1.0000000
Ag    G
      4.4406000              1.0000000
Ag    G
      2.5773000              1.0000000
Ag    G
      1.4958000              1.0000000
Ag    G
      0.6232000              1.0000000
Ag    H
      4.3247000              1.0000000
Ag    H
      2.4577000              1.0000000
Ag    H
      1.0814000              1.0000000
Ag    I
      4.2423000              1.0000000
Ag    I
      2.2640000              1.0000000
end


ecp "Ag_cc-pwCV5Z-PP"
Ag nelec 28
Ag ul
2       1.0000000              0.0000000
Ag S
2      12.5677140            255.0547710
2       6.9976620             36.9833930
Ag P
2      11.3164960             60.7157050
2      10.9580630            121.4438890
2       7.1114000             10.1718660
2       6.7733190             20.4865640
Ag D
2       8.9284370             29.5049380
2      11.1025670             44.0187360
2       5.5432120              5.3683330
2       3.9288350              7.4083750
Ag F
2      11.0129130            -12.6234030
2      11.0198980            -16.7643270
end
basis "Cd_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Cd    S
      1.9234000              1.0000000
Cd    S
      1.2027000              1.0000000
Cd    S
  27436.6000000              0.0000050
   3908.4100000              0.0000360
    873.4940000              0.0001700
    240.9660000              0.0005020
     40.1547000              0.0127020
     24.9336000             -0.1035310
     15.5229000              0.3364200
      7.5728300             -0.4851990
      4.7268900             -0.3783880
      2.0631900              0.5224540
      1.1298200              0.6637710
      0.5872270              0.2282000
      0.2363260              0.0114000
      0.1190290             -0.0014050
      0.0575930              0.0004300
Cd    S
  27436.6000000             -0.0000040
   3908.4100000             -0.0000300
    873.4940000             -0.0001410
    240.9660000             -0.0004170
     40.1547000             -0.0094010
     24.9336000              0.0769120
     15.5229000             -0.2625420
      7.5728300              0.4359870
      4.7268900              0.3210280
      2.0631900             -0.8122860
      1.1298200             -1.1743820
      0.5872270              1.0056440
      0.2363260              1.4442850
      0.1190290             -0.4737790
      0.0575930             -0.6115230
Cd    S
  27436.6000000              0.0000050
   3908.4100000              0.0000440
    873.4940000              0.0001880
    240.9660000              0.0006600
     40.1547000              0.0102790
     24.9336000             -0.0949060
     15.5229000              0.3459450
      7.5728300             -0.5089720
      4.7268900             -0.9101160
      2.0631900              3.1543360
      1.1298200             -0.4410900
      0.5872270             -3.3567240
      0.2363260              2.1849250
      0.1190290              0.8653930
      0.0575930             -1.0763220
Cd    S
  27436.6000000              0.0000110
   3908.4100000              0.0000370
    873.4940000              0.0005380
    240.9660000             -0.0000070
     40.1547000              0.0603180
     24.9336000             -0.3399990
     15.5229000              0.9281550
      7.5728300             -1.8591730
      4.7268900             -0.2801740
      2.0631900              8.2506400
      1.1298200            -12.0499770
      0.5872270              6.2942470
      0.2363260              1.0740050
      0.1190290             -3.6683230
      0.0575930              1.7381910
Cd    S
  27436.6000000             -0.0000010
   3908.4100000             -0.0000110
    873.4940000             -0.0000500
    240.9660000             -0.0001630
     40.1547000             -0.0032580
     24.9336000              0.0280860
     15.5229000             -0.0967480
      7.5728300              0.1571350
      4.7268900              0.1024990
      2.0631900             -0.1865410
      1.1298200             -0.2931460
      0.5872270             -0.1881750
      0.2363260              0.1461350
      0.1190290              0.4696640
      0.0575930              0.4688420
Cd    S
  27436.6000000              0.0000370
   3908.4100000             -0.0001320
    873.4940000              0.0024830
    240.9660000             -0.0065150
     40.1547000              0.3870050
     24.9336000             -1.8211490
     15.5229000              4.1013790
      7.5728300            -10.8420120
      4.7268900             12.7409230
      2.0631900             -5.1541990
      1.1298200             -3.4644710
      0.5872270              8.9259320
      0.2363260            -10.6562160
      0.1190290              9.0099110
      0.0575930             -3.2748060
Cd    S
      0.0277550              1.0000000
Cd    P
      4.1667000              1.0000000
Cd    P
      2.6094000              1.0000000
Cd    P
    323.2680000              0.0000660
     63.5891000              0.0006790
     28.2035000             -0.0084230
     17.5936000              0.0503170
      8.2024800             -0.2028140
      5.1107900             -0.0532690
      2.5359300              0.3654550
      1.3583900              0.4938280
      0.7055230              0.2777250
      0.3383690              0.0520750
      0.1513800              0.0016680
      0.0663680              0.0008590
Cd    P
    323.2680000             -0.0000370
     63.5891000             -0.0002500
     28.2035000              0.0033640
     17.5936000             -0.0232440
      8.2024800              0.1021120
      5.1107900              0.0308760
      2.5359300             -0.2370240
      1.3583900             -0.3339430
      0.7055230             -0.0657160
      0.3383690              0.4686380
      0.1513800              0.5646730
      0.0663680              0.1388640
Cd    P
    323.2680000              0.0000750
     63.5891000              0.0003980
     28.2035000             -0.0057820
     17.5936000              0.0433640
      8.2024800             -0.1923230
      5.1107900             -0.1152710
      2.5359300              0.7466690
      1.3583900              0.6295210
      0.7055230             -1.0489700
      0.3383690             -0.7581520
      0.1513800              0.7903170
      0.0663680              0.3390040
Cd    P
    323.2680000              0.0001040
     63.5891000              0.0007300
     28.2035000             -0.0101520
     17.5936000              0.0715170
      8.2024800             -0.3380230
      5.1107900             -0.2023430
      2.5359300              2.2073870
      1.3583900             -1.3076250
      0.7055230             -1.7517320
      0.3383690              2.2717260
      0.1513800             -0.3680670
      0.0663680             -0.6504470
Cd    P
    323.2680000              0.0004590
     63.5891000             -0.0137780
     28.2035000              0.1210560
     17.5936000             -0.3918450
      8.2024800              1.7758150
      5.1107900             -2.1445560
      2.5359300             -1.8817220
      1.3583900              5.5206530
      0.7055230             -4.8059090
      0.3383690              1.4522180
      0.1513800              0.9494530
      0.0663680             -1.0871290
Cd    P
    323.2680000             -0.0000180
     63.5891000             -0.0001490
     28.2035000              0.0018740
     17.5936000             -0.0123180
      8.2024800              0.0544420
      5.1107900              0.0093530
      2.5359300             -0.1069270
      1.3583900             -0.1532950
      0.7055230             -0.0952330
      0.3383690              0.1139870
      0.1513800              0.4051120
      0.0663680              0.4787540
Cd    P
      0.0286620              1.0000000
Cd    D
      5.9557000              1.0000000
Cd    D
      2.6750000              1.0000000
Cd    D
    218.4830000              0.0000650
     66.0856000              0.0005290
     23.4767000              0.0035540
     10.7919000             -0.0179510
      3.9868400              0.1024190
      2.2758000              0.2560070
      1.2538100              0.3240110
      0.6747590              0.2838860
      0.3548570              0.1777130
      0.1809700              0.0690630
Cd    D
    218.4830000             -0.0005500
     66.0856000              0.0011980
     23.4767000             -0.0240170
     10.7919000              0.1100430
      3.9868400             -0.9701910
      2.2758000             -0.2134990
      1.2538100              2.0135070
      0.6747590             -1.0556350
      0.3548570             -0.8484480
      0.1809700              0.6878900
Cd    D
    218.4830000             -0.0000970
     66.0856000             -0.0007610
     23.4767000             -0.0051260
     10.7919000              0.0266220
      3.9868400             -0.1831690
      2.2758000             -0.4777630
      1.2538100             -0.2557580
      0.6747590              0.3026490
      0.3548570              0.4657800
      0.1809700              0.2503160
Cd    D
    218.4830000             -0.0002590
     66.0856000             -0.0019310
     23.4767000             -0.0166050
     10.7919000              0.1247370
      3.9868400             -2.2613790
      2.2758000              3.1601810
      1.2538100             -0.6317200
      0.6747590             -2.1371480
      0.3548570              2.2270340
      0.1809700             -0.3921130
Cd    D
    218.4830000              0.0002240
     66.0856000              0.0001890
     23.4767000              0.0103380
     10.7919000             -0.0485980
      3.9868400              0.3396490
      2.2758000              0.6937940
      1.2538100             -0.5948220
      0.6747590             -0.7538480
      0.3548570              0.1934390
      0.1809700              0.6360650
Cd    D
      0.0870760              1.0000000
Cd    F
     11.0763000              1.0000000
Cd    F
      5.1458000              1.0000000
Cd    F
      2.3906000              1.0000000
Cd    F
      1.1106000              1.0000000
Cd    F
      0.4305000              1.0000000
Cd    G
      4.9221000              1.0000000
Cd    G
      2.8622000              1.0000000
Cd    G
      1.6644000              1.0000000
Cd    G
      0.7016000              1.0000000
Cd    H
      4.7753000              1.0000000
Cd    H
      2.7312000              1.0000000
Cd    H
      1.2197000              1.0000000
Cd    I
      4.6428000              1.0000000
Cd    I
      2.5498000              1.0000000
end


ecp "Cd_cc-pwCV5Z-PP"
Cd nelec 28
Cd ul
2       1.0000000              0.0000000
Cd S
2      13.3551760            270.0394480
2       7.3083780             38.8777660
Cd P
2      12.6597280             64.6074700
2      12.2896390            129.2194450
2       6.7861760             10.6225580
2       6.4007430             21.2650460
Cd D
2      11.1617220             31.6639650
2      11.2196150             47.4892160
2       4.5377330              5.1862000
2       4.3357270              7.5660630
Cd F
2      11.4789860            -12.6327850
2      11.4870270            -16.7601710
end
basis "In_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,17d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
In    S
     16.7272000              1.000000E+00
In    S
      7.191700E+00           1.000000E+00
In    S
      4.241100E+00           1.000000E+00
In    S
      2.501100E+00           1.000000E+00
In    S
      1.475000E+00           1.000000E+00
In    S
  23226.5000000              0.0000060
   3635.5400000              0.0000400
    862.5840000              0.0001740
    246.6930000              0.0004750
     46.3849000              0.0077520
     27.0364000             -0.0817480
      8.3890400             -0.3606080
      5.2364700             -0.5234820
      2.8696600              0.2712000
      1.5386800              0.7659270
In    S
      0.7910200              1.0000000
In    S
      0.3111880              1.0000000
In    S
      0.1791140              1.0000000
In    S
      0.0848660              1.0000000
In    S
      0.0391490              1.0000000
In    P
     19.9080000              1.000000E+00
In    P
      8.140900E+00           1.000000E+00
In    P
      4.353000E+00           1.000000E+00
In    P
      2.327600E+00           1.000000E+00
In    P
    306.9880000              0.0000780
     51.1659000              0.0020370
     31.9605000             -0.0117730
      8.2245100             -0.2358350
      4.4523400             -0.0048270
      2.5254500              0.4290200
      1.3169800              0.5023400
In    P
      1.244600E+00           1.000000E+00
In    P
      0.6633140              1.0000000
In    P
      0.2883470              1.0000000
In    P
      0.1300600              1.0000000
In    P
      0.0576000              1.0000000
In    P
      0.0252850              1.0000000
In    D
      7.999100E+00           1.000000E+00
In    D
      5.002500E+00           1.000000E+00
In    D
      3.128400E+00           1.000000E+00
In    D
      1.956500E+00           1.000000E+00
In    D
    608.1530000              0.0000090
    185.8550000              0.0000780
     74.0897000              0.0004030
     30.3368000              0.0022870
     12.5122000             -0.0144790
      5.2219900              0.0375860
      3.2414000              0.1876030
      1.8445200              0.3128050
      1.0139400              0.3213200
In    D
      0.5454830              1.0000000
In    D
      0.2866790              1.0000000
In    D
      0.1447350              1.0000000
In    D
      0.0627000              1.0000000
In    F
      1.236260E+01           1.000000E+00
In    F
      5.406600E+00           1.000000E+00
In    F
      2.364500E+00           1.000000E+00
In    F
      1.034100E+00           1.000000E+00
In    F
      0.4871000              1.0000000
In    F
      0.2400000              1.0000000
In    F
      0.1182000              1.0000000
In    G
      4.525700E+00           1.000000E+00
In    G
      2.213600E+00           1.000000E+00
In    G
      1.082700E+00           1.000000E+00
In    G
      0.4878000              1.0000000
In    G
      0.2294000              1.0000000
In    H
      4.102100E+00           1.000000E+00
In    H
      1.199900E+00           1.000000E+00
In    H
      0.4218000              1.0000000
In    I
      1.198400E+00           1.000000E+00
end


ecp "In_cc-pwCV5Z-PP"
In nelec 28
In ul
2       1.0000000              0.0000000
In S
2      15.3928220            281.1223500
2       8.0558640             61.9014700
In P
2      13.9286720             67.4621540
2      13.3472340            134.9492500
2       7.6141320             14.7461400
2       7.3183650             29.6392620
In D
2      14.0347150             35.4932540
2      14.5116160             53.1787730
2       5.5505500              9.1772810
2       5.0594150             12.3924100
In F
2      12.5390560            -13.7280780
2      12.5525610            -18.2068660
end
basis "Sn_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,17d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
Sn    S
     18.7349000              1.000000E+00
Sn    S
      7.679500E+00           1.000000E+00
Sn    S
      4.528800E+00           1.000000E+00
Sn    S
      2.670700E+00           1.000000E+00
Sn    S
      1.575000E+00           1.000000E+00
Sn    S
  41524.9000000              0.0000060
   6000.7500000              0.0000480
   1326.3100000              0.0002400
    363.7110000              0.0007770
     97.9293000              0.0018850
     30.0010000             -0.0402990
      9.1043300             -0.2212780
      5.5714300             -0.5997290
      3.3742800              0.2466100
      1.6921300              0.7830120
Sn    S
      0.8754970              1.0000000
Sn    S
      0.3705530              1.0000000
Sn    S
      0.2052470              1.0000000
Sn    S
      0.0996540              1.0000000
Sn    S
      0.0470050              1.0000000
Sn    P
     22.4952000              1.000000E+00
Sn    P
      8.685200E+00           1.000000E+00
Sn    P
      4.879300E+00           1.000000E+00
Sn    P
      2.741200E+00           1.000000E+00
Sn    P
    484.0730000              0.0000660
    107.9790000              0.0004420
     36.0268000             -0.0032360
      9.4056500             -0.1539330
      5.8779100             -0.0758040
      2.9250900              0.3723880
      1.5499000              0.5203090
Sn    P
      1.540000E+00           1.000000E+00
Sn    P
      0.7940910              1.0000000
Sn    P
      0.3640900              1.0000000
Sn    P
      0.1708260              1.0000000
Sn    P
      0.0780380              1.0000000
Sn    P
      0.0348330              1.0000000
Sn    D
      8.822300E+00           1.000000E+00
Sn    D
      5.519700E+00           1.000000E+00
Sn    D
      3.453400E+00           1.000000E+00
Sn    D
      2.160600E+00           1.000000E+00
Sn    D
    664.3080000              0.0000100
    207.9720000              0.0000880
     81.1454000              0.0004880
     33.1164000              0.0025780
     13.7707000             -0.0126880
      6.2054200              0.0342470
      3.6403300              0.1897620
      2.0641100              0.3204930
      1.1405200              0.3274000
Sn    D
      0.6180670              1.0000000
Sn    D
      0.3262520              1.0000000
Sn    D
      0.1656920              1.0000000
Sn    D
      0.0754000              1.0000000
Sn    F
      1.330180E+01           1.000000E+00
Sn    F
      5.829800E+00           1.000000E+00
Sn    F
      2.555000E+00           1.000000E+00
Sn    F
      1.119800E+00           1.000000E+00
Sn    F
      0.5251000              1.0000000
Sn    F
      0.2663000              1.0000000
Sn    F
      0.1351000              1.0000000
Sn    G
      5.007900E+00           1.000000E+00
Sn    G
      2.436800E+00           1.000000E+00
Sn    G
      1.185700E+00           1.000000E+00
Sn    G
      0.5325000              1.0000000
Sn    G
      0.2542000              1.0000000
Sn    H
      4.579700E+00           1.000000E+00
Sn    H
      1.314000E+00           1.000000E+00
Sn    H
      0.4681000              1.0000000
Sn    I
      1.309300E+00           1.000000E+00
end


ecp "Sn_cc-pwCV5Z-PP"
Sn nelec 28
Sn ul
2       1.0000000              0.0000000
Sn S
2      17.4204140            279.9886820
2       7.6311550             62.3778100
Sn P
2      16.1310240             66.1625230
2      15.6280770            132.1743960
2       7.3256080             16.3394170
2       6.9425190             32.4889590
Sn D
2      15.5149760             36.3874410
2      15.1881600             54.5078410
2       5.4560240              8.6968230
2       5.3631050             12.8402080
Sn F
2      12.2823480            -12.5763330
2      12.2721500            -16.5959440
end
basis "Sb_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,17d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
Sb    S
     17.2890000              1.000000E+00
Sb    S
      8.197200E+00           1.000000E+00
Sb    S
      5.098400E+00           1.000000E+00
Sb    S
      3.171000E+00           1.000000E+00
Sb    S
      1.972300E+00           1.000000E+00
Sb    S
  33072.9000000              0.0000110
   5025.3400000              0.0000840
   1152.3600000              0.0003940
    324.1960000              0.0011820
     85.8607000              0.0028700
     27.6760000             -0.0696230
     10.4866000             -0.3578770
      5.9297700             -0.6419650
      3.7029000              0.2554680
      1.8529800              0.7898580
Sb    S
      0.9803990              1.0000000
Sb    S
      0.4387490              1.0000000
Sb    S
      0.2455130              1.0000000
Sb    S
      0.1207110              1.0000000
Sb    S
      0.0574520              1.0000000
Sb    P
     19.1002000              1.000000E+00
Sb    P
      9.218100E+00           1.000000E+00
Sb    P
      5.183000E+00           1.000000E+00
Sb    P
      2.914300E+00           1.000000E+00
Sb    P
    457.9840000              0.0000810
    101.9180000              0.0005270
     30.5679000             -0.0068360
      9.7255700             -0.2305800
      6.0763700             -0.0447360
      3.0330600              0.4044060
      1.6258100              0.5166630
Sb    P
      1.638600E+00           1.000000E+00
Sb    P
      0.8500760              1.0000000
Sb    P
      0.4008310              1.0000000
Sb    P
      0.1950610              1.0000000
Sb    P
      0.0923680              1.0000000
Sb    P
      0.0424560              1.0000000
Sb    D
      9.666600E+00           1.000000E+00
Sb    D
      6.052400E+00           1.000000E+00
Sb    D
      3.789500E+00           1.000000E+00
Sb    D
      2.372700E+00           1.000000E+00
Sb    D
    681.4100000              0.0000120
    208.4790000              0.0001150
     81.4487000              0.0006280
     33.6360000              0.0030890
     12.9671000             -0.0155390
      7.0605500              0.0295200
      4.0031000              0.1904230
      2.2791300              0.3254420
      1.2738500              0.3308710
Sb    D
      0.6997310              1.0000000
Sb    D
      0.3737590              1.0000000
Sb    D
      0.1903860              1.0000000
Sb    D
      0.0892000              1.0000000
Sb    F
      1.482290E+01           1.000000E+00
Sb    F
      6.486900E+00           1.000000E+00
Sb    F
      2.838800E+00           1.000000E+00
Sb    F
      1.242300E+00           1.000000E+00
Sb    F
      0.5731000              1.0000000
Sb    F
      0.3011000              1.0000000
Sb    F
      0.1582000              1.0000000
Sb    G
      5.334800E+00           1.000000E+00
Sb    G
      2.644500E+00           1.000000E+00
Sb    G
      1.310900E+00           1.000000E+00
Sb    G
      0.5896000              1.0000000
Sb    G
      0.2885000              1.0000000
Sb    H
      4.965000E+00           1.000000E+00
Sb    H
      1.435200E+00           1.000000E+00
Sb    H
      0.5236000              1.0000000
Sb    I
      1.430400E+00           1.000000E+00
end


ecp "Sb_cc-pwCV5Z-PP"
Sb nelec 28
Sb ul
2       1.0000000              0.0000000
Sb S
2      16.3308650            281.0715810
2       8.5565420             61.7166040
Sb P
2      14.4703370             67.4573800
2      13.8161940            134.9335030
2       8.4249240             14.7163440
2       8.0927280             29.5185120
Sb D
2      14.8863310             35.4478150
2      15.1463190             53.1434660
2       5.9082670              9.1792230
2       5.5943220             13.2402530
Sb F
2      14.4449780            -15.3668010
2      14.4492950            -20.2961380
end
basis "Te_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,17d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
Te    S
     17.7003000              1.000000E+00
Te    S
      9.068200E+00           1.000000E+00
Te    S
      5.631900E+00           1.000000E+00
Te    S
      3.497700E+00           1.000000E+00
Te    S
      2.172300E+00           1.000000E+00
Te    S
  40797.2000000              0.0000170
   6127.0900000              0.0001270
   1389.1500000              0.0006160
    387.4630000              0.0019490
    113.3550000              0.0036970
     28.3246000             -0.0634120
     11.0610000             -0.3902080
      6.2078500             -0.6311370
      3.8784800              0.2546080
      1.9881800              0.7861460
Te    S
      1.0735600              1.0000000
Te    S
      0.5093220              1.0000000
Te    S
      0.2801250              1.0000000
Te    S
      0.1391010              1.0000000
Te    S
      0.0661510              1.0000000
Te    P
     19.2977000              1.000000E+00
Te    P
      9.870000E+00           1.000000E+00
Te    P
      5.641200E+00           1.000000E+00
Te    P
      3.224300E+00           1.000000E+00
Te    P
    516.0760000              0.0000930
    118.0290000              0.0005840
     30.8754000             -0.0052630
     10.4824000             -0.2263180
      6.3011000             -0.0634930
      3.3279000              0.3913600
      1.7979300              0.5260480
Te    P
      1.842800E+00           1.000000E+00
Te    P
      0.9501290              1.0000000
Te    P
      0.4555780              1.0000000
Te    P
      0.2208730              1.0000000
Te    P
      0.1036080              1.0000000
Te    P
      0.0471160              1.0000000
Te    D
      1.118240E+01           1.000000E+00
Te    D
      7.002300E+00           1.000000E+00
Te    D
      4.384700E+00           1.000000E+00
Te    D
      2.745700E+00           1.000000E+00
Te    D
    688.2210000              0.0000160
    207.0780000              0.0001570
     80.6678000              0.0008380
     34.0224000              0.0037600
     13.0033000             -0.0175410
      8.1197900              0.0293380
      4.4298400              0.1858750
      2.5350700              0.3281340
      1.4282700              0.3350310
Te    D
      0.7931480              1.0000000
Te    D
      0.4313130              1.0000000
Te    D
      0.2292640              1.0000000
Te    D
      0.1060000              1.0000000
Te    F
      1.586760E+01           1.000000E+00
Te    F
      6.972600E+00           1.000000E+00
Te    F
      3.063900E+00           1.000000E+00
Te    F
      1.346400E+00           1.000000E+00
Te    F
      0.6149000              1.0000000
Te    F
      0.3194000              1.0000000
Te    F
      0.1659000              1.0000000
Te    G
      5.734000E+00           1.000000E+00
Te    G
      2.828900E+00           1.000000E+00
Te    G
      1.395700E+00           1.000000E+00
Te    G
      0.6129000              1.0000000
Te    G
      0.2902000              1.0000000
Te    H
      5.375500E+00           1.000000E+00
Te    H
      1.537700E+00           1.000000E+00
Te    H
      0.5376000              1.0000000
Te    I
      1.580500E+00           1.000000E+00
end


ecp "Te_cc-pwCV5Z-PP"
Te nelec 28
Te ul
2       1.0000000              0.0000000
Te S
2      16.8144730            281.0458430
2       8.7935260             61.6206560
Te P
2      14.8778010             67.4494640
2      14.2697310            134.9043040
2       8.7244350             14.6895470
2       8.2915150             29.4150630
Te D
2      15.2050080             35.4320570
2      15.2258480             53.1356870
2       6.0717690              9.0698020
2       5.8047600             13.1223040
Te F
2      15.2061680            -15.7454500
2      15.2017020            -20.7424480
end
basis "I_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,17d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
I    S
      1.851000E+01           1.000000E+00
I    S
      9.464600E+00           1.000000E+00
I    S
      5.908700E+00           1.000000E+00
I    S
      3.688800E+00           1.000000E+00
I    S
      2.302900E+00           1.000000E+00
I    S
      4.297660E+04           1.300000E-05
      6.439010E+03           9.700000E-05
      1.455780E+03           4.660000E-04
      4.053610E+02           1.441000E-03
      1.169800E+02           2.674000E-03
      2.963260E+01          -5.812100E-02
      1.156200E+01          -3.622720E-01
      6.595070E+00          -6.346740E-01
      4.053400E+00           2.236670E-01
      2.140900E+00           7.832730E-01
I    S
      1.181640E+00           1.000000E+00
I    S
      6.003720E-01           1.000000E+00
I    S
      3.199650E-01           1.000000E+00
I    S
      1.587690E-01           1.000000E+00
I    S
      7.545100E-02           1.000000E+00
I    P
      2.022540E+01           1.000000E+00
I    P
      1.036350E+01           1.000000E+00
I    P
      6.079500E+00           1.000000E+00
I    P
      3.566400E+00           1.000000E+00
I    P
      2.092100E+00           1.000000E+00
I    P
      5.696430E+02           1.150000E-04
      1.314960E+02           7.170000E-04
      3.238430E+01          -2.027000E-03
      1.123810E+01          -1.922640E-01
      6.627940E+00          -9.521500E-02
      3.647800E+00           3.658080E-01
      1.988530E+00           5.364310E-01
I    P
      1.063670E+00           1.000000E+00
I    P
      5.243030E-01           1.000000E+00
I    P
      2.553820E-01           1.000000E+00
I    P
      1.197550E-01           1.000000E+00
I    P
      5.419900E-02           1.000000E+00
I    D
      1.374120E+01           1.000000E+00
I    D
      8.595700E+00           1.000000E+00
I    D
      5.376900E+00           1.000000E+00
I    D
      3.363500E+00           1.000000E+00
I    D
      5.788080E+02           2.600000E-05
      1.758530E+02           2.340000E-04
      6.882920E+01           1.177000E-03
      2.873540E+01           5.462000E-03
      1.231660E+01          -2.753000E-02
      7.611430E+00           2.097600E-02
      4.704520E+00           1.768420E-01
      2.794650E+00           3.194790E-01
      1.616440E+00           3.387310E-01
I    D
      9.142110E-01           1.000000E+00
I    D
      5.047300E-01           1.000000E+00
I    D
      2.762800E-01           1.000000E+00
I    D
      1.392000E-01           1.000000E+00
I    F
      1.807880E+01           1.000000E+00
I    F
      7.884900E+00           1.000000E+00
I    F
      3.438900E+00           1.000000E+00
I    F
      1.499800E+00           1.000000E+00
I    F
      6.739000E-01           1.000000E+00
I    F
      3.631000E-01           1.000000E+00
I    F
      1.956000E-01           1.000000E+00
I    G
      6.117200E+00           1.000000E+00
I    G
      3.061800E+00           1.000000E+00
I    G
      1.532500E+00           1.000000E+00
I    G
      6.721000E-01           1.000000E+00
I    G
      3.226000E-01           1.000000E+00
I    H
      5.736500E+00           1.000000E+00
I    H
      1.672100E+00           1.000000E+00
I    H
      5.908000E-01           1.000000E+00
I    I
      1.724600E+00           1.000000E+00
end


ecp "I_cc-pwCV5Z-PP"
I nelec 28
I ul
2       1.00000000             0.00000000
I S
2      40.03337600            49.98964900
2      17.30057600           281.00655600
2       8.85172000            61.41673900
I P
2      15.72014100            67.41623900
2      15.20822200           134.80769600
2       8.29418600            14.56654800
2       7.75394900            28.96842200
I D
2      13.81775100            35.53875600
2      13.58780500            53.33975900
2       6.94763000             9.71646600
2       6.96009900            14.97750000
I F
2      18.52295000           -20.17661800
2      18.25103500           -26.08807700
2       7.55790100            -0.22043400
2       7.59740400            -0.22164600
end
basis "Xe_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,17d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
Xe    S
     18.9517000              1.000000E+00
Xe    S
      1.013270E+01           1.000000E+00
Xe    S
      6.298700E+00           1.000000E+00
Xe    S
      3.915400E+00           1.000000E+00
Xe    S
      2.433900E+00           1.000000E+00
Xe    S
  48321.7000000              0.0000210
   7247.5300000              0.0001610
   1647.8200000              0.0007770
    463.2800000              0.0024510
    141.2520000              0.0043270
     30.3364000             -0.0520960
     11.8390000             -0.4511310
      6.6022600             -0.6055000
      4.0861100              0.3224700
      2.1698900              0.7959590
Xe    S
      1.2081000              1.0000000
Xe    S
      0.6265520              1.0000000
Xe    S
      0.3299570              1.0000000
Xe    S
      0.1665010              1.0000000
Xe    S
      0.0805130              1.0000000
Xe    P
     12.1272000              1.000000E+00
Xe    P
      1.094880E+01           1.000000E+00
Xe    P
      5.705500E+00           1.000000E+00
Xe    P
      2.973200E+00           1.000000E+00
Xe    P
    606.0380000              0.0001400
    139.7950000              0.0008690
     19.3991000              0.0728320
      7.5780500             -0.0864450
      3.8698300              0.3516930
      2.2092800              0.5055770
      1.2518800              0.2783450
Xe    P
      1.549300E+00           1.000000E+00
Xe    P
      0.6815140              1.0000000
Xe    P
      0.3730100              1.0000000
Xe    P
      0.1983760              1.0000000
Xe    P
      0.1028230              1.0000000
Xe    P
      0.0509490              1.0000000
Xe    D
      1.523420E+01           1.000000E+00
Xe    D
      9.527600E+00           1.000000E+00
Xe    D
      5.958600E+00           1.000000E+00
Xe    D
      3.726600E+00           1.000000E+00
Xe    D
    659.6130000              0.0000290
    200.7280000              0.0002670
     78.7426000              0.0013840
     33.3455000              0.0058650
     12.6987000             -0.0229860
      7.8355000              0.0533760
      4.6694900              0.2158860
      2.7869500              0.3250900
      1.6516400              0.3081500
Xe    D
      0.9637090              1.0000000
Xe    D
      0.5521860              1.0000000
Xe    D
      0.3125300              1.0000000
Xe    D
      0.1446000              1.0000000
Xe    F
      2.031070E+01           1.000000E+00
Xe    F
      8.846000E+00           1.000000E+00
Xe    F
      3.852800E+00           1.000000E+00
Xe    F
      1.678000E+00           1.000000E+00
Xe    F
      0.7418000              1.0000000
Xe    F
      0.4239000              1.0000000
Xe    F
      0.2423000              1.0000000
Xe    G
      6.731900E+00           1.000000E+00
Xe    G
      3.385700E+00           1.000000E+00
Xe    G
      1.702800E+00           1.000000E+00
Xe    G
      0.7418000              1.0000000
Xe    G
      0.3597000              1.0000000
Xe    H
      6.293000E+00           1.000000E+00
Xe    H
      1.841500E+00           1.000000E+00
Xe    H
      0.6575000              1.0000000
Xe    I
      1.900900E+00           1.000000E+00
end


ecp "Xe_cc-pwCV5Z-PP"
Xe nelec 28
Xe ul
2       1.0000000              0.0000000
Xe S
2      40.0051840             49.9979620
2      17.8122140            281.0133030
2       9.3041500             61.5382550
Xe P
2      15.7017720             67.4391420
2      15.2586080            134.8747110
2       9.2921840             14.6633000
2       8.5590030             29.3547300
Xe D
2      15.1856000             35.4369080
2      14.2845000             53.1957720
2       7.1218890              9.0462320
2       6.9919630             13.2236810
2       0.6239460              0.0848530
2       0.6472840              0.0441550
Xe F
2      20.8815570            -23.0892950
2      20.7834430            -30.0744750
2       5.2533890             -0.2882270
2       5.3611880             -0.3869240
end
basis "Hf_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Hf    S
      4.4550000              1.0000000
Hf    S
      2.7000000              1.0000000
Hf    S
    127.7480000             -0.0002650
     79.4716000              0.0018600
     45.4455000             -0.0136810
     28.3815000              0.0789220
     17.7268000             -0.3294260
     11.0709000              0.7341460
      6.8945900             -0.4835410
      3.5486400             -0.5526670
      1.9669700             -0.0048260
      1.1896700              0.4295130
      0.7225180              0.5705330
      0.4164450              0.3115260
      0.2308050              0.0487760
      0.1037990              0.0014650
      0.0497170             -0.0014370
Hf    S
    127.7480000             -0.0002150
     79.4716000              0.0013270
     45.4455000             -0.0082810
     28.3815000              0.0437050
     17.7268000             -0.1784800
     11.0709000              0.4054010
      6.8945900             -0.2886660
      3.5486400             -0.2809590
      1.9669700             -0.1238970
      1.1896700              0.5064930
      0.7225180              0.4808970
      0.4164450              0.9248080
      0.2308050             -1.6613720
      0.1037990             -1.1516350
      0.0497170              1.2281220
Hf    S
    127.7480000             -0.0002050
     79.4716000              0.0006500
     45.4455000              0.0023510
     28.3815000             -0.0394250
     17.7268000              0.2197680
     11.0709000             -0.5440250
      6.8945900              0.3558480
      3.5486400              0.6157690
      1.9669700             -0.0435280
      1.1896700             -0.6285800
      0.7225180             -2.6644980
      0.4164450              2.6677750
      0.2308050              2.2901390
      0.1037990             -3.5999040
      0.0497170              0.6097060
Hf    S
    127.7480000              0.0000500
     79.4716000             -0.0004020
     45.4455000              0.0034560
     28.3815000             -0.0219560
     17.7268000              0.0967560
     11.0709000             -0.2227620
      6.8945900              0.1511500
      3.5486400              0.1802400
      1.9669700              0.0081550
      1.1896700             -0.1681520
      0.7225180             -0.2613930
      0.4164450             -0.2841200
      0.2308050             -0.0039800
      0.1037990              0.4690960
      0.0497170              0.5811820
Hf    S
    127.7480000             -0.0004360
     79.4716000              0.0017770
     45.4455000             -0.0015150
     28.3815000             -0.0327300
     17.7268000              0.2228950
     11.0709000             -0.5723910
      6.8945900              0.3439330
      3.5486400              0.7814050
      1.9669700              0.4626060
      1.1896700             -2.7820660
      0.7225180             -3.1216790
      0.4164450             11.6688260
      0.2308050             -9.7036820
      0.1037990              1.9065390
      0.0497170              2.4988180
Hf    S
    127.7480000             -0.0065390
     79.4716000              0.0330230
     45.4455000             -0.1319560
     28.3815000              0.3965380
     17.7268000             -1.0136420
     11.0709000              1.9458380
      6.8945900             -1.7872130
      3.5486400              0.2408740
      1.9669700             -4.1101300
      1.1896700             17.4671040
      0.7225180            -23.3039300
      0.4164450             11.9257810
      0.2308050              1.7063660
      0.1037990             -7.7578540
      0.0497170              7.2322400
Hf    S
      0.0237700              1.0000000
Hf    P
      4.0902000              1.0000000
Hf    P
      2.5567000              1.0000000
Hf    P
     41.4467000             -0.0006080
     25.8855000              0.0072100
     16.1691000             -0.0505390
     10.1016000              0.1824760
      6.3107100             -0.2021880
      3.8365300             -0.1667920
      1.3993200              0.3020540
      0.7676080              0.4675860
      0.4115580              0.3223530
      0.2111180              0.0902090
      0.0981670              0.0082420
      0.0453820              0.0010090
Hf    P
     41.4467000              0.0001550
     25.8855000             -0.0024110
     16.1691000              0.0190800
     10.1016000             -0.0723590
      6.3107100              0.0825170
      3.8365300              0.0694090
      1.3993200             -0.1384910
      0.7676080             -0.2388510
      0.4115580             -0.2696350
      0.2111180              0.2559880
      0.0981670              0.7089890
      0.0453820              0.2477470
Hf    P
     41.4467000              0.0003500
     25.8855000             -0.0047590
     16.1691000              0.0361480
     10.1016000             -0.1366730
      6.3107100              0.1591460
      3.8365300              0.1281270
      1.3993200             -0.2677180
      0.7676080             -0.7965620
      0.4115580              0.1238840
      0.2111180              1.6212470
      0.0981670             -0.5567550
      0.0453820             -0.6691030
Hf    P
     41.4467000              0.0001310
     25.8855000             -0.0017860
     16.1691000              0.0134610
     10.1016000             -0.0503600
      6.3107100              0.0574720
      3.8365300              0.0470140
      1.3993200             -0.0929890
      0.7676080             -0.1678660
      0.4115580             -0.1546010
      0.2111180              0.0749170
      0.0981670              0.4278670
      0.0453820              0.4997790
Hf    P
     41.4467000              0.0007800
     25.8855000             -0.0084450
     16.1691000              0.0588600
     10.1016000             -0.2212050
      6.3107100              0.2683550
      3.8365300              0.2077140
      1.3993200             -0.7711390
      0.7676080             -1.4253890
      0.4115580              3.4737140
      0.2111180             -1.5709620
      0.0981670             -1.1457100
      0.0453820              1.2510060
Hf    P
     41.4467000              0.0161090
     25.8855000             -0.0774960
     16.1691000              0.1644930
     10.1016000             -0.1561020
      6.3107100              0.2459260
      3.8365300             -0.9029180
      1.3993200              3.4050860
      0.7676080             -3.5255490
      0.4115580             -0.6189970
      0.2111180              3.9159700
      0.0981670             -3.9242830
      0.0453820              1.8289550
Hf    P
      0.0206860              1.0000000
Hf    D
      3.3013000              1.0000000
Hf    D
      2.0624000              1.0000000
Hf    D
     35.5394000              0.0000430
     15.2305000             -0.0006500
      7.7746700              0.0123910
      4.3736500             -0.0563170
      1.4161700              0.0928900
      0.8379100              0.1799400
      0.4656750              0.2783780
      0.2397700              0.3177230
      0.1177200              0.2618220
      0.0557830              0.1262830
Hf    D
     35.5394000              0.0004280
     15.2305000             -0.0016930
      7.7746700             -0.0180860
      4.3736500              0.1212750
      1.4161700             -0.3064630
      0.8379100             -1.0395480
      0.4656750              1.1482350
      0.2397700              0.8681360
      0.1177200             -1.6557700
      0.0557830              0.4445940
Hf    D
     35.5394000             -0.0000920
     15.2305000             -0.0000270
      7.7746700              0.0172170
      4.3736500             -0.0933910
      1.4161700              0.2127460
      0.8379100              0.4655750
      0.4656750              0.2673850
      0.2397700             -0.8332010
      0.1177200             -0.4285520
      0.0557830              0.6530410
Hf    D
     35.5394000             -0.0000150
     15.2305000              0.0005190
      7.7746700             -0.0136520
      4.3736500              0.0657540
      1.4161700             -0.1206020
      0.8379100             -0.2424530
      0.4656750             -0.3683650
      0.2397700             -0.1005520
      0.1177200              0.4226440
      0.0557830              0.4761400
Hf    D
     35.5394000              0.0002690
     15.2305000             -0.0026550
      7.7746700              0.0489690
      4.3736500             -0.2528270
      1.4161700              1.3918810
      0.8379100             -0.1414450
      0.4656750             -2.6895820
      0.2397700              3.1243230
      0.1177200             -1.3526590
      0.0557830             -0.4206500
Hf    D
      0.0251140              1.0000000
Hf    F
      1.7357000              1.0000000
Hf    F
      0.8897000              1.0000000
Hf    F
      0.4560000              1.0000000
Hf    F
      0.2337000              1.0000000
Hf    F
      0.0834000              1.0000000
Hf    G
      1.9755000              1.0000000
Hf    G
      0.9582000              1.0000000
Hf    G
      0.4647000              1.0000000
Hf    G
      0.1585000              1.0000000
Hf    H
      1.8136000              1.0000000
Hf    H
      0.8403000              1.0000000
Hf    H
      0.2781000              1.0000000
Hf    I
      1.5657000              1.0000000
Hf    I
      0.5042000              1.0000000
end


ecp "Hf_cc-pwCV5Z-PP"
Hf nelec 60
Hf ul
2       1.00000000             0.00000000
Hf S
2      10.24885600           478.23740400
4      10.72912700             0.38802400
2       1.96485600            -1.07123200
Hf P
2       8.68346200           101.04681800
2       7.91692000           212.19776100
4       9.37924300             0.13264600
4       8.24420900             0.45310800
2       1.59668600            -0.40791400
2       1.71028100            -0.56181700
Hf D
2       5.18955700            43.11546700
2       5.25322900            65.93473200
4       5.93787100             0.02591200
4       5.71290600             0.03374100
2       1.01485600            -0.28057900
2       0.47371200            -0.08484900
Hf F
2       1.91260800             4.81180100
2       1.88074000             6.41857400
Hf G
2       2.72418000            -4.63658500
2       2.70895300            -5.76728800
end
basis "Ta_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (92s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Ta    S
      4.7600000              1.0000000
Ta    S
      2.8000000              1.0000000
Ta    S
    127.8860000             -0.0002790
     79.6219000              0.0020770
     47.3560000             -0.0127990
     28.9849000              0.0750180
     18.1009000             -0.3238420
     11.3049000              0.7427980
      7.0610300             -0.4963610
      3.7219500             -0.5605560
      1.9676200             -0.0147580
      1.2207300              0.5206740
      0.7094640              0.5800160
      0.4076670              0.2439380
      0.2308530              0.0336160
      0.1124470              0.0003250
      0.0540990             -0.0021700
Ta    S
    127.8860000              0.0001110
     79.6219000             -0.0008820
     47.3560000              0.0059160
     28.9849000             -0.0375850
     18.1009000              0.1716390
     11.3049000             -0.4111500
      7.0610300              0.2909600
      3.7219500              0.3268680
      1.9676200              0.0945570
      1.2207300             -0.5424690
      0.7094640             -0.7913220
      0.4076670             -0.4190270
      0.2308530              1.6532500
      0.1124470              0.8989830
      0.0540990             -1.1280310
Ta    S
     79.6219000             -0.0004300
     47.3560000              0.0057360
     28.9849000             -0.0481540
     18.1009000              0.2439050
     11.3049000             -0.6085090
      7.0610300              0.4282320
      3.7219500              0.5955070
      1.9676200              0.1293500
      1.2207300             -1.4441160
      0.7094640             -1.9042060
      0.4076670              3.2780850
      0.2308530              1.4056750
      0.1124470             -3.3379110
      0.0540990              0.4211850
Ta    S
    127.8860000              0.0000430
     79.6219000             -0.0004060
     47.3560000              0.0030990
     28.9849000             -0.0209290
     18.1009000              0.0970320
     11.3049000             -0.2315270
      7.0610300              0.1598630
      3.7219500              0.1896500
      1.9676200              0.0113860
      1.2207300             -0.2125120
      0.7094640             -0.3065440
      0.4076670             -0.2409180
      0.2308530              0.0388600
      0.1124470              0.4628580
      0.0540990              0.5752370
Ta    S
    127.8860000              0.0002870
     79.6219000             -0.0019250
     47.3560000              0.0108510
     28.9849000             -0.0629920
     18.1009000              0.2830470
     11.3049000             -0.6835000
      7.0610300              0.4757520
      3.7219500              0.6263640
      1.9676200              1.1666760
      1.2207300             -5.1480010
      0.7094640              1.1355430
      0.4076670              8.3573620
      0.2308530             -9.1380100
      0.1124470              2.0396930
      0.0540990              2.6709700
Ta    S
    127.8860000             -0.0027560
     79.6219000              0.0149860
     47.3560000             -0.0565160
     28.9849000              0.1974660
     18.1009000             -0.6383540
     11.3049000              1.3988440
      7.0610300             -1.1057190
      3.7219500             -1.1405960
      1.9676200             -1.0047480
      1.2207300             13.1447220
      0.7094640            -22.4925640
      0.4076670             15.8588450
      0.2308530             -1.4127320
      0.1124470             -6.8494450
      0.0540990              6.6999900
Ta    S
      0.0255890              1.0000000
Ta    P
      4.4076000              1.0000000
Ta    P
      2.7557000              1.0000000
Ta    P
     43.0864000             -0.0004490
     26.2162000              0.0063050
     16.3747000             -0.0481970
     10.2287000              0.1858860
      6.3885600             -0.2230500
      3.8820000             -0.1621140
      1.5402200              0.2784190
      0.8635440              0.4672790
      0.4684760              0.3385310
      0.2433510              0.1034880
      0.1126670              0.0106060
      0.0514670              0.0008630
Ta    P
     43.0864000              0.0000770
     26.2162000             -0.0020600
     16.3747000              0.0191860
     10.2287000             -0.0793420
      6.3885600              0.0985250
      3.8820000              0.0742280
      1.5402200             -0.1412360
      0.8635440             -0.2634310
      0.4684760             -0.2924470
      0.2433510              0.2763780
      0.1126670              0.7169410
      0.0514670              0.2347510
Ta    P
     43.0864000              0.0000670
     26.2162000             -0.0032700
     16.3747000              0.0334630
     10.2287000             -0.1429680
      6.3885600              0.1813390
      3.8820000              0.1407050
      1.5402200             -0.2905920
      0.8635440             -0.8314340
      0.4684760              0.1378480
      0.2433510              1.6015330
      0.1126670             -0.5297110
      0.0514670             -0.6839160
Ta    P
     43.0864000              0.0003680
     26.2162000             -0.0066880
     16.3747000              0.0591060
     10.2287000             -0.2496690
      6.3885600              0.3312620
      3.8820000              0.2476020
      1.5402200             -0.9737180
      0.8635440             -1.4213200
      0.4684760              3.7940630
      0.2433510             -1.9375430
      0.1126670             -0.8955520
      0.0514670              1.1723800
Ta    P
     43.0864000              0.0000830
     26.2162000             -0.0015370
     16.3747000              0.0131640
     10.2287000             -0.0532870
      6.3885600              0.0661500
      3.8820000              0.0478650
      1.5402200             -0.0900430
      0.8635440             -0.1758890
      0.4684760             -0.1625120
      0.2433510              0.0661390
      0.1126670              0.4193780
      0.0514670              0.5076320
Ta    P
     43.0864000             -0.0160570
     26.2162000              0.0835870
     16.3747000             -0.1864780
     10.2287000              0.1749990
      6.3885600             -0.2492200
      3.8820000              1.0920380
      1.5402200             -4.3225400
      0.8635440              5.0941140
      0.4684760             -0.7633390
      0.2433510             -3.1723950
      0.1126670              3.7036060
      0.0514670             -1.9021510
Ta    P
      0.0230550              1.0000000
Ta    D
      3.5534000              1.0000000
Ta    D
      2.2220000              1.0000000
Ta    D
     35.5553000              0.0000650
     15.2541000             -0.0010070
      8.0507000              0.0153940
      4.4858200             -0.0687140
      1.4699000              0.1230910
      0.8349400              0.2263780
      0.4639940              0.2926730
      0.2489180              0.2921500
      0.1289160              0.2162180
      0.0644250              0.0968860
Ta    D
     35.5553000              0.0002380
     15.2541000             -0.0002990
      8.0507000             -0.0280330
      4.4858200              0.1647140
      1.4699000             -0.6247180
      0.8349400             -0.7857680
      0.4639940              1.7880720
      0.2489180             -0.0459510
      0.1289160             -1.4392400
      0.0644250              0.5965670
Ta    D
     35.5553000              0.0001760
     15.2541000             -0.0002270
      8.0507000             -0.0202980
      4.4858200              0.1162780
      1.4699000             -0.3271600
      0.8349400             -0.5766580
      0.4639940              0.0876950
      0.2489180              0.9151310
      0.1289160              0.1294610
      0.0644250             -0.6372310
Ta    D
     35.5553000             -0.0007060
     15.2541000              0.0029160
      8.0507000              0.0395360
      4.4858200             -0.2900840
      1.4699000              2.0927720
      0.8349400             -1.9799750
      0.4639940             -1.1050630
      0.2489180              3.0756320
      0.1289160             -2.0821770
      0.0644250              0.0657740
Ta    D
     35.5553000             -0.0000160
     15.2541000              0.0007520
      8.0507000             -0.0166650
      4.4858200              0.0802890
      1.4699000             -0.1644500
      0.8349400             -0.3216390
      0.4639940             -0.3388870
      0.2489180              0.0565710
      0.1289160              0.4638630
      0.0644250              0.4026440
Ta    D
      0.0302690              1.0000000
Ta    F
      1.9038000              1.0000000
Ta    F
      1.0195000              1.0000000
Ta    F
      0.5459000              1.0000000
Ta    F
      0.2923000              1.0000000
Ta    F
      0.1062000              1.0000000
Ta    G
      2.1516000              1.0000000
Ta    G
      1.0972000              1.0000000
Ta    G
      0.5596000              1.0000000
Ta    G
      0.2015000              1.0000000
Ta    H
      2.0025000              1.0000000
Ta    H
      0.9824000              1.0000000
Ta    H
      0.3503000              1.0000000
Ta    I
      1.8102000              1.0000000
Ta    I
      0.6496000              1.0000000
end


ecp "Ta_cc-pwCV5Z-PP"
Ta nelec 60
Ta ul
2       1.00000000             0.00000000
Ta S
2      10.31806900           454.60064900
4      10.54026700             2.83797500
2       2.57472600            -0.81473600
Ta P
2       8.74334200            96.91078300
2       7.91622300           195.85043200
4       9.27573600             4.81252400
4       8.10167500             6.33851200
2       2.07712700            -0.45917300
2       2.75037200            -0.64458600
Ta D
2       5.44731400            45.96997600
2       5.21254500            69.63897200
4       5.88435800             0.80293300
4       5.64957900             0.42959500
2       1.38818000            -0.30722700
2       1.29439800            -0.46156000
Ta F
2       2.16127500             5.75777300
2       2.12593900             7.67816700
Ta G
2       3.14592000            -5.68406600
2       3.12794200            -7.06231300
end
basis "W_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
W    S
      4.7600000              1.0000000
W    S
      2.8000000              1.0000000
W    S
    128.0210000             -0.0002130
     79.7690000              0.0018130
     48.5622000             -0.0116240
     30.1989000              0.0676740
     18.8517000             -0.2999560
     11.7614000              0.7046350
      7.3298200             -0.4663690
      3.8767000             -0.5914920
      1.9492700              0.0262780
      1.2144400              0.5868220
      0.7063900              0.5430650
      0.4094330              0.2037330
      0.2304240              0.0245590
      0.1120740             -0.0009150
      0.0545930             -0.0027140
W    S
    128.0210000              0.0000550
     79.7690000             -0.0006130
     48.5622000              0.0049100
     30.1989000             -0.0332520
     18.8517000              0.1602240
     11.7614000             -0.3963830
      7.3298200              0.2773410
      3.8767000              0.3628200
      1.9492700              0.0727200
      1.2144400             -0.6834100
      0.7063900             -0.8141440
      0.4094330             -0.1123420
      0.2304240              1.7087150
      0.1120740              0.5925350
      0.0545930             -1.0797410
W    S
    128.0210000             -0.0000800
     79.7690000             -0.0000040
     48.5622000              0.0042400
     30.1989000             -0.0425880
     18.8517000              0.2317290
     11.7614000             -0.6006620
      7.3298200              0.4229970
      3.8767000              0.6727400
      1.9492700              0.0054660
      1.2144400             -1.8784650
      0.7063900             -1.2199100
      0.4094330              3.6264850
      0.2304240              0.4866040
      0.1120740             -3.0611230
      0.0545930              0.5984560
W    S
    128.0210000              0.0000210
     79.7690000             -0.0003040
     48.5622000              0.0027070
     30.1989000             -0.0189610
     18.8517000              0.0915990
     11.7614000             -0.2249730
      7.3298200              0.1546610
      3.8767000              0.2055560
      1.9492700             -0.0039980
      1.2144400             -0.2574660
      0.7063900             -0.3084040
      0.4094330             -0.2150450
      0.2304240              0.0978160
      0.1120740              0.4934530
      0.0545930              0.5309830
W    S
    128.0210000             -0.0002200
     79.7690000              0.0007930
     48.5622000              0.0015110
     30.1989000             -0.0366030
     18.8517000              0.2256000
     11.7614000             -0.5949330
      7.3298200              0.3658040
      3.8767000              0.8681320
      1.9492700              0.7539980
      1.2144400             -5.9039300
      0.7063900              3.9582880
      0.4094330              5.5054530
      0.2304240             -8.3495450
      0.1120740              2.6769820
      0.0545930              2.1562470
W    S
    128.0210000              0.0007620
     79.7690000             -0.0035880
     48.5622000              0.0057020
     30.1989000              0.0367400
     18.8517000             -0.3171300
     11.7614000              0.9032690
      7.3298200             -0.5068010
      3.8767000             -2.1985630
      1.9492700              2.3663650
      1.2144400              8.8286120
      0.7063900            -21.9615460
      0.4094330             19.5076120
      0.2304240             -5.6066650
      0.1120740             -4.4225920
      0.0545930              5.8539150
W    S
      0.0262100              1.0000000
W    P
      4.6918000              1.0000000
W    P
      2.9337000              1.0000000
W    P
     44.8241000             -0.0005630
     27.9957000              0.0069070
     17.4892000             -0.0501680
     10.9261000              0.1877100
      6.8251900             -0.2162930
      4.1815300             -0.1695920
      1.5635300              0.3171370
      0.8689660              0.4788210
      0.4668820              0.3119830
      0.2376200              0.0805190
      0.1124500              0.0067540
      0.0520670              0.0009720
W    P
     44.8241000              0.0001430
     27.9957000             -0.0025570
     17.4892000              0.0216370
     10.9261000             -0.0859840
      6.8251900              0.1027430
      4.1815300              0.0819860
      1.5635300             -0.1723800
      0.8689660             -0.3159660
      0.4668820             -0.2428930
      0.2376200              0.4141700
      0.1124500              0.6618400
      0.0520670              0.1647600
W    P
     44.8241000              0.0002040
     27.9957000             -0.0041800
     17.4892000              0.0372120
     10.9261000             -0.1517130
      6.8251900              0.1848990
      4.1815300              0.1538090
      1.5635300             -0.3828860
      0.8689660             -0.9138870
      0.4668820              0.6158340
      0.2376200              1.3591900
      0.1124500             -0.7719430
      0.0520670             -0.5298450
W    P
     44.8241000             -0.0018840
     27.9957000              0.0047740
     17.4892000              0.0293600
     10.9261000             -0.1962880
      6.8251900              0.2458850
      4.1815300              0.3544620
      1.5635300             -1.4928090
      0.8689660             -0.4962540
      0.4668820              3.4838900
      0.2376200             -2.5860700
      0.1124500             -0.1732890
      0.0520670              0.9394390
W    P
     44.8241000              0.0001090
     27.9957000             -0.0016630
     17.4892000              0.0133690
     10.9261000             -0.0523560
      6.8251900              0.0624070
      4.1815300              0.0487380
      1.5635300             -0.1011590
      0.8689660             -0.1802800
      0.4668820             -0.1366360
      0.2376200              0.0929390
      0.1124500              0.4060920
      0.0520670              0.4865210
W    P
     44.8241000             -0.0085310
     27.9957000              0.0375330
     17.4892000             -0.0444050
     10.9261000             -0.1250940
      6.8251900              0.1837830
      4.1815300              0.7029870
      1.5635300             -4.5650170
      0.8689660              6.7760870
      0.4668820             -3.4821490
      0.2376200             -1.0709860
      0.1124500              2.8960140
      0.0520670             -1.7956980
W    P
      0.0236130              1.0000000
W    D
      3.9090000              1.0000000
W    D
      2.4451000              1.0000000
W    D
     35.6782000              0.0000810
     15.4233000             -0.0023430
      9.2438500              0.0200330
      5.0371500             -0.0776750
      1.5468100              0.1491040
      0.8422000              0.2700130
      0.4583880              0.3094120
      0.2475420              0.2705130
      0.1305440              0.1768770
      0.0662290              0.0662320
W    D
     35.6782000              0.0039060
     15.4233000             -0.0236200
      9.2438500              0.0010010
      5.0371500              0.2566630
      1.5468100             -2.4481050
      0.8422000              3.6625230
      0.4583880             -1.4539920
      0.2475420             -1.5880280
      0.1305440              2.2358110
      0.0662290             -0.7062180
W    D
     35.6782000             -0.0000950
     15.4233000             -0.0028040
      9.2438500              0.0418880
      5.0371500             -0.2028010
      1.5468100              0.9977590
      0.8422000              0.1418660
      0.4583880             -2.0303660
      0.2475420              1.2349000
      0.1305440              0.7676510
      0.0662290             -0.7799460
W    D
     35.6782000             -0.0000100
     15.4233000              0.0020700
      9.2438500             -0.0223950
      5.0371500              0.0942650
      1.5468100             -0.2158830
      0.8422000             -0.4052730
      0.4583880             -0.2654230
      0.2475420              0.2303150
      0.1305440              0.4908810
      0.0662290              0.2989000
W    D
     35.6782000             -0.0000750
     15.4233000             -0.0022060
      9.2438500              0.0308890
      5.0371500             -0.1414110
      1.5468100              0.4576300
      0.8422000              0.6275750
      0.4583880             -0.5604170
      0.2475420             -0.8192870
      0.1305440              0.2636160
      0.0662290              0.5844690
W    D
      0.0313960              1.0000000
W    F
      2.0881000              1.0000000
W    F
      1.1524000              1.0000000
W    F
      0.6360000              1.0000000
W    F
      0.3510000              1.0000000
W    F
      0.1300000              1.0000000
W    G
      2.3485000              1.0000000
W    G
      1.2434000              1.0000000
W    G
      0.6584000              1.0000000
W    G
      0.2465000              1.0000000
W    H
      2.2047000              1.0000000
W    H
      1.1262000              1.0000000
W    H
      0.4222000              1.0000000
W    I
      2.0623000              1.0000000
W    I
      0.8048000              1.0000000
end


ecp "W_cc-pwCV5Z-PP"
W nelec 60
W ul
2       1.00000000             0.00000000
W S
2      11.06379500           419.22759900
2       8.21764100            41.19130700
W P
2       9.33818800           107.34811000
2       8.43044800           214.69956800
4       9.49002000             0.02544200
4       9.48994700             0.05189500
2       1.88299700            -0.11718400
2       1.90697200             0.29668900
W D
2       6.20543300            58.88127900
2       6.12215700            98.68355600
4       6.27455600             0.01953700
4       6.22637500             0.02195600
2       1.96387500            -0.08857700
2       1.88828700            -0.20972600
W F
2       2.30795300             6.23247200
2       2.27060900             8.31134500
W G
2       3.58349100            -6.80294400
2       3.56251500            -8.44323200
end
basis "Re_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (92s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Re    S
      5.1735000              1.0000000
Re    S
      3.0203000              1.0000000
Re    S
    202.7120000             -0.0000180
     83.1287000              0.0008080
     51.6714000             -0.0070970
     32.2470000              0.0479820
     20.1306000             -0.2305260
     12.5747000              0.5362550
      7.3845200             -0.3065170
      4.1728600             -0.6272000
      2.6071100             -0.0086210
      1.2876400              0.6405810
      0.7176620              0.5579870
      0.4005670              0.1652750
      0.2323290              0.0172950
      0.1127560              0.0025800
      0.0551780              0.0002910
Re    S
    202.7120000             -0.0000310
     83.1287000              0.0008940
     51.6714000             -0.0067490
     32.2470000              0.0434530
     20.1306000             -0.2145210
     12.5747000              0.5288540
      7.3845200             -0.3532480
      4.1728600             -0.6775470
      2.6071100             -0.1518750
      1.2876400              2.4519750
      0.7176620              0.4384750
      0.4005670             -4.0072560
      0.2323290              0.6936150
      0.1127560              2.7050750
      0.0551780             -0.8795670
Re    S
    202.7120000              0.0000180
     83.1287000             -0.0005500
     51.6714000              0.0042800
     32.2470000             -0.0276130
     20.1306000              0.1340070
     12.5747000             -0.3229860
      7.3845200              0.2097760
      4.1728600              0.3620910
      2.6071100              0.0961150
      1.2876400             -0.7498160
      0.7176620             -0.8648990
      0.4005670              0.1811020
      0.2323290              1.6121400
      0.1127560              0.4387040
      0.0551780             -1.0489500
Re    S
     83.1287000             -0.0001630
     51.6714000              0.0018440
     32.2470000             -0.0144650
     20.1306000              0.0746010
     12.5747000             -0.1808000
      7.3845200              0.1099330
      4.1728600              0.2250530
      2.6071100              0.0049640
      1.2876400             -0.2913340
      0.7176620             -0.3384660
      0.4005670             -0.1805940
      0.2323290              0.1402910
      0.1127560              0.5017990
      0.0551780              0.5030990
Re    S
    202.7120000              0.0002350
     83.1287000             -0.0032670
     51.6714000              0.0109550
     32.2470000             -0.0003660
     20.1306000             -0.1431730
     12.5747000              0.4397380
      7.3845200             -0.1194760
      4.1728600             -1.3118760
      2.6071100             -0.1557260
      1.2876400              6.5286810
      0.7176620             -7.6129680
      0.4005670             -1.2325140
      0.2323290              7.2714920
      0.1127560             -4.1794340
      0.0551780             -0.5759050
Re    S
    202.7120000              0.0034650
     83.1287000             -0.0537890
     51.6714000              0.2267930
     32.2470000             -0.5545730
     20.1306000              0.8903070
     12.5747000             -1.0481350
      7.3845200              2.4122880
      4.1728600             -7.5736620
      2.6071100              8.1469280
      1.2876400              2.9438290
      0.7176620            -17.3320220
      0.4005670             23.0838870
      0.2323290            -13.5879670
      0.1127560              1.0859110
      0.0551780              3.3164740
Re    S
      0.0266950              1.0000000
Re    P
      4.8084000              1.0000000
Re    P
      3.0073000              1.0000000
Re    P
     47.9533000             -0.0002760
     29.9457000              0.0040490
     18.7024000             -0.0333890
     11.6818000              0.1349390
      7.2963600             -0.1401110
      4.5317300             -0.2024650
      1.6000200              0.3485480
      0.8859210              0.4802570
      0.4730370              0.2920020
      0.2358480              0.0674260
      0.1111810              0.0045690
      0.0515630              0.0010030
Re    P
     47.9533000              0.0000970
     29.9457000             -0.0017690
     18.7024000              0.0159300
     11.6818000             -0.0672890
      7.2963600              0.0740170
      4.5317300              0.1009150
      1.6000200             -0.2052230
      0.8859210             -0.3536700
      0.4730370             -0.1740060
      0.2358480              0.5158270
      0.1111810              0.5958240
      0.0515630              0.1163270
Re    P
     47.9533000             -0.0000210
     29.9457000              0.0022630
     18.7024000             -0.0256330
     11.6818000              0.1152090
      7.2963600             -0.1268210
      4.5317300             -0.1981360
      1.6000200              0.5068520
      0.8859210              0.9103290
      0.4730370             -1.0009770
      0.2358480             -1.0597320
      0.1111810              0.9144500
      0.0515630              0.3787070
Re    P
     47.9533000              0.0044250
     29.9457000             -0.0194640
     18.7024000              0.0222630
     11.6818000              0.0693960
      7.2963600             -0.0499830
      4.5317300             -0.5122240
      1.6000200              2.0349300
      0.8859210             -0.5892110
      0.4730370             -2.7862130
      0.2358480              2.8600090
      0.1111810             -0.4498560
      0.0515630             -0.6745750
Re    P
     47.9533000              0.0000660
     29.9457000             -0.0011030
     18.7024000              0.0097100
     11.6818000             -0.0407390
      7.2963600              0.0446200
      4.5317300              0.0607640
      1.6000200             -0.1211460
      0.8859210             -0.1957700
      0.4730370             -0.1230670
      0.2358480              0.1476650
      0.1111810              0.4461360
      0.0515630              0.4517640
Re    P
     47.9533000              0.0095020
     29.9457000             -0.0541850
     18.7024000              0.1976230
     11.6818000             -0.5605200
      7.2963600              0.7615590
      4.5317300              0.2039630
      1.6000200             -4.6023340
      0.8859210              8.0439570
      0.4730370             -5.8869540
      0.2358480              1.2584620
      0.1111810              1.5587300
      0.0515630             -1.4244990
Re    P
      0.0235420              1.0000000
Re    D
      4.1725000              1.0000000
Re    D
      2.6099000              1.0000000
Re    D
     35.7309000              0.0000990
     16.0515000             -0.0015020
      9.9659100              0.0122100
      5.0281700             -0.0671390
      1.7427600              0.1216760
      1.0452000              0.2158010
      0.6077840              0.2894700
      0.3294000              0.2946000
      0.1679870              0.2175370
      0.0816530              0.1022850
Re    D
     35.7309000              0.0006500
     16.0515000             -0.0067020
      9.9659100              0.0371030
      5.0281700             -0.1942700
      1.7427600              0.7473670
      1.0452000              0.8063190
      0.6077840             -1.9285380
      0.3294000              0.1008470
      0.1679870              1.3672990
      0.0816530             -0.5654600
Re    D
     35.7309000              0.0001730
     16.0515000             -0.0003060
      9.9659100             -0.0147100
      5.0281700              0.1185220
      1.7427600             -0.3719350
      1.0452000             -0.5457170
      0.6077840              0.0674260
      0.3294000              0.8900820
      0.1679870              0.1737840
      0.0816530             -0.6452820
Re    D
     35.7309000             -0.0019430
     16.0515000              0.0120540
      9.9659100              0.0105860
      5.0281700             -0.2881360
      1.7427600              2.5644120
      1.0452000             -2.7590000
      0.6077840             -0.6513700
      0.3294000              2.7968950
      0.1679870             -1.8294110
      0.0816530             -0.0374110
Re    D
     35.7309000             -0.0000910
     16.0515000              0.0014570
      9.9659100             -0.0130710
      5.0281700              0.0758260
      1.7427600             -0.1508580
      1.0452000             -0.3139560
      0.6077840             -0.3290430
      0.3294000              0.0602180
      0.1679870              0.4784460
      0.0816530              0.4104690
Re    D
      0.0372670              1.0000000
Re    F
      2.3575000              1.0000000
Re    F
      1.3103000              1.0000000
Re    F
      0.7283000              1.0000000
Re    F
      0.4048000              1.0000000
Re    F
      0.1505000              1.0000000
Re    G
      2.5741000              1.0000000
Re    G
      1.3959000              1.0000000
Re    G
      0.7569000              1.0000000
Re    G
      0.2909000              1.0000000
Re    H
      2.4000000              1.0000000
Re    H
      1.2727000              1.0000000
Re    H
      0.5023000              1.0000000
Re    I
      2.3717000              1.0000000
Re    I
      1.0694000              1.0000000
end


ecp "Re_cc-pwCV5Z-PP"
Re nelec 60
Re ul
2       1.00000000             0.00000000
Re S
2      12.16381400           421.97030000
2       7.10759500            50.13443900
Re P
2       9.68459700            88.48191000
2       9.47621400           176.78722000
2       7.66806600            10.43433800
2       5.05515600            20.45874300
Re D
2       6.50988800            43.16243100
2       6.09121600            64.76775900
2       4.16400600             5.34030100
2       4.40737900             8.24333200
Re F
2       2.56265800             7.24454300
2       2.52154900             9.65926600
Re G
2       4.03459900            -7.97494000
2       4.00962800            -9.88273600
end
basis "Os_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Os    S
      5.6778000              1.0000000
Os    S
      3.3400000              1.0000000
Os    S
    227.2160000             -0.0000080
     88.9180000              0.0006500
     55.3980000             -0.0057630
     34.5047000              0.0395840
     21.5498000             -0.1899940
     13.3429000              0.4393550
      7.2939800             -0.2162190
      4.4707900             -0.6369810
      2.5034400             -0.0856790
      1.5041300              0.5520460
      0.8808490              0.5880240
      0.5112780              0.2614560
      0.2785370              0.0386370
      0.1317160              0.0025830
      0.0626290              0.0009850
Os    S
    227.2160000              0.0000570
     88.9180000             -0.0005270
     55.3980000             -0.0002760
     34.5047000              0.0237580
     21.5498000             -0.1612420
     13.3429000              0.4238590
      7.2939800             -0.2128580
      4.4707900             -0.8411380
      2.5034400             -0.3547180
      1.5041300              2.5012250
      0.8808490              1.5206040
      0.5112780             -4.7077430
      0.2785370              0.5173180
      0.1317160              2.8011500
      0.0626290             -1.0530940
Os    S
    227.2160000              0.0000110
     88.9180000             -0.0004860
     55.3980000              0.0038370
     34.5047000             -0.0252950
     21.5498000              0.1232880
     13.3429000             -0.2967180
      7.2939800              0.1764350
      4.4707900              0.4257760
      2.5034400              0.1812150
      1.5041300             -0.7732490
      0.8808490             -0.9496670
      0.5112780             -0.0491560
      0.2785370              1.7480150
      0.1317160              0.4745020
      0.0626290             -1.0206450
Os    S
    227.2160000             -0.0000010
     88.9180000             -0.0001530
     55.3980000              0.0016120
     34.5047000             -0.0123980
     21.5498000              0.0631760
     13.3429000             -0.1520640
      7.2939800              0.0829460
      4.4707900              0.2314950
      2.5034400              0.0334930
      1.5041300             -0.2523020
      0.8808490             -0.3237270
      0.5112780             -0.2363270
      0.2785370              0.0729300
      0.1317160              0.4772580
      0.0626290              0.5415620
Os    S
    227.2160000              0.0003020
     88.9180000             -0.0046580
     55.3980000              0.0171120
     34.5047000             -0.0161720
     21.5498000             -0.1164320
     13.3429000              0.4081330
      7.2939800              0.1057120
      4.4707900             -2.0385030
      2.5034400             -0.1832490
      1.5041300              8.8048900
      0.8808490            -10.0151690
      0.5112780             -0.2302100
      0.2785370              7.0274320
      0.1317160             -4.7555670
      0.0626290              0.3846600
Os    S
    227.2160000              0.0022710
     88.9180000             -0.0383040
     55.3980000              0.1614460
     34.5047000             -0.3854960
     21.5498000              0.5500720
     13.3429000             -0.5047640
      7.2939800              2.4002110
      4.4707900             -8.2280540
      2.5034400             11.7973900
      1.5041300             -0.0520600
      0.8808490            -19.9171480
      0.5112780             25.5954690
      0.2785370            -15.0580250
      0.1317160              3.5673590
      0.0626290              1.5404740
Os    S
      0.0295780              1.0000000
Os    P
      5.0518000              1.0000000
Os    P
      3.1598000              1.0000000
Os    P
     50.5874000             -0.0001780
     31.5906000              0.0031850
     19.7305000             -0.0284180
     12.3248000              0.1191540
      7.6982400             -0.1170170
      4.7632200             -0.2175890
      1.6802200              0.3609010
      0.9331860              0.4826620
      0.4989040              0.2839670
      0.2484490              0.0632460
      0.1156230              0.0042670
      0.0529260              0.0008460
Os    P
     50.5874000              0.0000480
     31.5906000             -0.0014300
     19.7305000              0.0145560
     12.3248000             -0.0644830
      7.6982400              0.0678250
      4.7632200              0.1188800
      1.6802200             -0.2396480
      0.9331860             -0.3999740
      0.4989040             -0.1150490
      0.2484490              0.5925270
      0.1156230              0.5415260
      0.0529260              0.0798220
Os    P
     50.5874000              0.0058520
     31.5906000             -0.0273330
     19.7305000              0.0473740
     12.3248000              0.0133890
      7.6982400              0.0414600
      4.7632200             -0.6358230
      1.6802200              2.5600610
      0.9331860             -1.6019820
      0.4989040             -2.0350280
      0.2484490              2.8242020
      0.1156230             -0.7670580
      0.0529260             -0.5063300
Os    P
     50.5874000              0.0004710
     31.5906000             -0.0005060
     19.7305000             -0.0165620
     12.3248000              0.0954490
      7.6982400             -0.0949800
      4.7632200             -0.2453950
      1.6802200              0.6373810
      0.9331860              0.8797360
      0.4989040             -1.2780900
      0.2484490             -0.7832380
      0.1156230              0.9608010
      0.0529260              0.2828430
Os    P
     50.5874000              0.0287000
     31.5906000             -0.1526390
     19.7305000              0.4666400
     12.3248000             -1.0736960
      7.6982400              1.4665880
      4.7632200             -0.3475880
      1.6802200             -4.4515830
      0.9331860              8.6243800
      0.4989040             -7.2754890
      0.2484490              2.7515100
      0.1156230              0.5647000
      0.0529260             -1.0633800
Os    P
     50.5874000              0.0000520
     31.5906000             -0.0009170
     19.7305000              0.0083100
     12.3248000             -0.0357720
      7.6982400              0.0376310
      4.7632200              0.0635160
      1.6802200             -0.1247100
      0.9331860             -0.1901510
      0.4989040             -0.1125450
      0.2484490              0.1468150
      0.1156230              0.4354470
      0.0529260              0.4550710
Os    P
      0.0238640              1.0000000
Os    D
      4.5375000              1.0000000
Os    D
      2.8379000              1.0000000
Os    D
     34.7251000              0.0001770
     18.4921000             -0.0014600
     11.5470000              0.0090810
      5.3023800             -0.0626140
      1.8076600              0.1422720
      1.0508200              0.2494720
      0.5992150              0.2973920
      0.3269350              0.2744110
      0.1699930              0.1905300
      0.0845740              0.0850110
Os    D
     34.7251000              0.0092970
     18.4921000             -0.0443470
     11.5470000              0.0482340
      5.3023800              0.2227540
      1.8076600             -3.0458800
      1.0508200              4.8903840
      0.5992150             -2.3993660
      0.3269350             -1.0524210
      0.1699930              1.8297370
      0.0845740             -0.4714890
Os    D
     34.7251000              0.0030890
     18.4921000             -0.0175070
     11.5470000              0.0492840
      5.3023800             -0.2305210
      1.8076600              1.2697920
      1.0508200             -0.0744860
      0.5992150             -2.0270440
      0.3269350              1.1913850
      0.1699930              0.7435960
      0.0845740             -0.6930140
Os    D
     34.7251000             -0.0002550
     18.4921000              0.0018950
     11.5470000             -0.0109550
      5.3023800              0.0761900
      1.8076600             -0.1919640
      1.0508200             -0.4022390
      0.5992150             -0.2705850
      0.3269350              0.2026700
      0.1699930              0.4974950
      0.0845740              0.3210020
Os    D
     34.7251000             -0.0003770
     18.4921000              0.0026750
     11.5470000             -0.0165250
      5.3023800              0.1264650
      1.8076600             -0.4975880
      1.0508200             -0.6159520
      0.5992150              0.5117290
      0.3269350              0.8300070
      0.1699930             -0.1728380
      0.0845740             -0.5995710
Os    D
      0.0394930              1.0000000
Os    F
      2.8422000              1.0000000
Os    F
      1.5620000              1.0000000
Os    F
      0.8584000              1.0000000
Os    F
      0.4718000              1.0000000
Os    F
      0.1790000              1.0000000
Os    G
      2.8123000              1.0000000
Os    G
      1.5545000              1.0000000
Os    G
      0.8593000              1.0000000
Os    G
      0.3375000              1.0000000
Os    H
      2.5874000              1.0000000
Os    H
      1.4140000              1.0000000
Os    H
      0.5777000              1.0000000
Os    I
      2.5764000              1.0000000
Os    I
      1.2206000              1.0000000
end


ecp "Os_cc-pwCV5Z-PP"
Os nelec 60
Os ul
2       1.00000000             0.00000000
Os S
2      13.00200100           424.39037600
2       6.96276300            57.12250300
Os P
2      10.49894100            88.27900300
2       9.99252300           176.48606400
2       6.58824800            11.71501200
2       5.03716700            22.91500600
Os D
2       7.08344100            44.77770800
2       6.72117900            67.15364800
2       3.79462600             5.55038700
2       3.74812500             8.22010400
Os F
2       2.82627600             8.32833200
2       2.78119800            11.10310200
Os G
2       4.49698100            -9.18134300
2       4.46773800           -11.36160400
end
basis "Ir_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Ir    S
      6.0167000              1.0000000
Ir    S
      3.2700000              1.0000000
Ir    S
    361.1680000              0.0000040
     95.8674000              0.0004220
     59.8527000             -0.0040300
     36.8252000              0.0307260
     23.0133000             -0.1493440
     13.6810000              0.3885650
      7.2456100             -0.2202300
      4.5281600             -0.6578940
      2.4987800             -0.0279080
      1.5530900              0.5449680
      0.9423020              0.5678570
      0.5460880              0.2781940
      0.2707930              0.0345870
      0.1347530              0.0006840
      0.0645530              0.0017070
Ir    S
    361.1680000             -0.0000430
     95.8674000              0.0009120
     59.8527000             -0.0024220
     36.8252000             -0.0123750
     23.0133000              0.1191320
     13.6810000             -0.3734900
      7.2456100              0.1842790
      4.5281600              0.9847650
      2.4987800              0.3903310
      1.5530900             -3.3148990
      0.9423020             -0.6367640
      0.5460880              4.7062010
      0.2707930             -1.2718210
      0.1347530             -2.2196150
      0.0645530              1.0516060
Ir    S
    361.1680000             -0.0000120
     95.8674000              0.0000220
     59.8527000              0.0011840
     36.8252000             -0.0162530
     23.0133000              0.0943350
     13.6810000             -0.2669410
      7.2456100              0.1671060
      4.5281600              0.5184990
      2.4987800              0.0818770
      1.5530900             -0.7655880
      0.9423020             -1.1753020
      0.5460880              0.4390200
      0.2707930              1.6679210
      0.1347530              0.1623000
      0.0645530             -0.9114440
Ir    S
    361.1680000              0.0001580
     95.8674000             -0.0045610
     59.8527000              0.0190690
     36.8252000             -0.0278300
     23.0133000             -0.0770850
     13.6810000              0.3776980
      7.2456100              0.2467920
      4.5281600             -2.9518890
      2.4987800              1.7915660
      1.5530900              8.4440360
      0.9423020            -12.7502280
      0.5460880              3.6778990
      0.2707930              4.6672140
      0.1347530             -4.5177760
      0.0645530              0.5860350
Ir    S
    361.1680000             -0.0000030
     95.8674000             -0.0001010
     59.8527000              0.0011370
     36.8252000             -0.0097400
     23.0133000              0.0502470
     13.6810000             -0.1366010
      7.2456100              0.0874040
      4.5281600              0.2420290
      2.4987800              0.0058910
      1.5530900             -0.2514300
      0.9423020             -0.3171260
      0.5460880             -0.2305500
      0.2707930              0.0921320
      0.1347530              0.4742620
      0.0645530              0.5251200
Ir    S
    361.1680000              0.0008230
     95.8674000             -0.0264250
     59.8527000              0.1204600
     36.8252000             -0.3013830
     23.0133000              0.4065180
     13.6810000             -0.3126660
      7.2456100              2.5994090
      4.5281600            -10.1706390
      2.4987800             19.6716040
      1.5530900            -12.5903850
      0.9423020             -9.0398800
      0.5460880             18.1973900
      0.2707930            -13.0305380
      0.1347530              5.0367020
      0.0645530              0.6544030
Ir    S
      0.0305960              1.0000000
Ir    P
      5.3731000              1.0000000
Ir    P
      3.3610000              1.0000000
Ir    P
     53.1489000             -0.0001030
     33.1807000              0.0025820
     20.7203000             -0.0250280
     12.9411000              0.1092320
      8.0825100             -0.1054160
      4.9702700             -0.2259200
      1.7771000              0.3652150
      0.9950100              0.4810560
      0.5365460              0.2820320
      0.2710670              0.0645840
      0.1272520              0.0048890
      0.0586070              0.0007820
Ir    P
     53.1489000             -0.0000300
     33.1807000             -0.0010390
     20.7203000              0.0137040
     12.9411000             -0.0653110
      8.0825100              0.0677430
      4.9702700              0.1416070
      1.7771000             -0.2919340
      0.9950100             -0.4527000
      0.5365460             -0.0364810
      0.2710670              0.6228330
      0.1272520              0.4918100
      0.0586070              0.0711760
Ir    P
     53.1489000              0.0046160
     33.1807000             -0.0212600
     20.7203000              0.0324680
     12.9411000              0.0409210
      8.0825100              0.0091310
      4.9702700             -0.6754230
      1.7771000              3.0768790
      0.9950100             -2.6418560
      0.5365460             -1.2075110
      0.2710670              2.5945410
      0.1272520             -0.8176030
      0.0586070             -0.4631340
Ir    P
     53.1489000             -0.0011260
     33.1807000              0.0040110
     20.7203000              0.0061050
     12.9411000             -0.0757750
      8.0825100              0.0665900
      4.9702700              0.2985190
      1.7771000             -0.8076210
      0.9950100             -0.7711620
      0.5365460              1.4513640
      0.2710670              0.5601930
      0.1272520             -0.9311020
      0.0586070             -0.2665940
Ir    P
     53.1489000              0.0465730
     33.1807000             -0.2446060
     20.7203000              0.7206110
     12.9411000             -1.5722170
      8.0825100              2.1856100
      4.9702700             -0.9564670
      1.7771000             -4.1001950
      0.9950100              8.7850890
      0.5365460             -8.0886650
      0.2710670              3.5879200
      0.1272520              0.1045200
      0.0586070             -0.8912610
Ir    P
     53.1489000              0.0000390
     33.1807000             -0.0008160
     20.7203000              0.0077660
     12.9411000             -0.0345780
      8.0825100              0.0360390
      4.9702700              0.0691030
      1.7771000             -0.1335600
      0.9950100             -0.1988110
      0.5365460             -0.1141680
      0.2710670              0.1535450
      0.1272520              0.4405510
      0.0586070              0.4502280
Ir    P
      0.0264540              1.0000000
Ir    D
      4.7974000              1.0000000
Ir    D
      3.0012000              1.0000000
Ir    D
     43.8130000              0.0001190
     19.8991000             -0.0011270
     12.4262000              0.0081710
      5.6402700             -0.0616520
      1.8794500              0.1618800
      1.0692500              0.2756330
      0.5995540              0.3042190
      0.3259080              0.2590940
      0.1707020              0.1672860
      0.0861840              0.0688650
Ir    D
     43.8130000              0.0019920
     19.8991000             -0.0144700
     12.4262000              0.0443120
      5.6402700             -0.2210940
      1.8794500              1.3855020
      1.0692500             -0.4492360
      0.5995540             -1.6111680
      0.3259080              1.0072380
      0.1707020              0.7000400
      0.0861840             -0.5103520
Ir    D
     43.8130000              0.0066070
     19.8991000             -0.0416800
     12.4262000              0.0540540
      5.6402700              0.1831770
      1.8794500             -2.8487810
      1.0692500              4.7681860
      0.5995540             -2.6811700
      0.3259080             -0.6021470
      0.1707020              1.4415890
      0.0861840             -0.1580950
Ir    D
     43.8130000              0.0006010
     19.8991000             -0.0044620
     12.4262000              0.0187110
      5.6402700             -0.1203430
      1.8794500              0.5070940
      1.0692500              0.5686510
      0.5995540             -0.5572300
      0.3259080             -0.7057520
      0.1707020              0.0897640
      0.0861840              0.5713880
Ir    D
     43.8130000             -0.0001920
     19.8991000              0.0016040
     12.4262000             -0.0098070
      5.6402700              0.0722610
      1.8794500             -0.2126390
      1.0692500             -0.4143280
      0.5995540             -0.2072930
      0.3259080              0.2166400
      0.1707020              0.4503280
      0.0861840              0.3260470
Ir    D
      0.0410370              1.0000000
Ir    F
      3.2322000              1.0000000
Ir    F
      1.7817000              1.0000000
Ir    F
      0.9821000              1.0000000
Ir    F
      0.5414000              1.0000000
Ir    F
      0.2087000              1.0000000
Ir    G
      3.0494000              1.0000000
Ir    G
      1.7230000              1.0000000
Ir    G
      0.9735000              1.0000000
Ir    G
      0.3884000              1.0000000
Ir    H
      2.7795000              1.0000000
Ir    H
      1.5636000              1.0000000
Ir    H
      0.6562000              1.0000000
Ir    I
      2.7820000              1.0000000
Ir    I
      1.3796000              1.0000000
end


ecp "Ir_cc-pwCV5Z-PP"
Ir nelec 60
Ir ul
2       1.00000000             0.00000000
Ir S
2      13.83147400           426.95814900
2       7.04791400            65.33881300
Ir P
2      11.10643300            88.07544200
2      10.45655200           176.12477000
2       6.37961400            12.68226000
2       5.06472600            24.63594900
Ir D
2       7.54875400            46.43325800
2       7.26530800            69.63807400
2       3.80096900             6.15024800
2       3.71828000             9.46356000
Ir F
2       3.09870600             9.48361000
2       3.04946100            12.64274200
Ir G
2       4.96979000           -10.41069700
2       4.93561400           -12.86319600
end
basis "Pt_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Pt    S
      5.7615000              1.0000000
Pt    S
      3.5732000              1.0000000
Pt    S
    413.6000000              0.0000060
    103.5350000              0.0004160
     64.1243000             -0.0038720
     39.8615000              0.0264020
     24.7987000             -0.1193560
     13.9302000              0.3575240
      7.8013800             -0.1644950
      4.8699100             -0.6967770
      2.7428100             -0.0777230
      1.7119200              0.5375150
      1.0158000              0.6169060
      0.5725730              0.2761470
      0.2878640              0.0315070
      0.1415920              0.0018730
      0.0675100              0.0015970
Pt    S
    413.6000000             -0.0000230
    103.5350000              0.0001920
     64.1243000              0.0006930
     39.8615000             -0.0173180
     24.7987000              0.1061720
     13.9302000             -0.3657080
      7.8013800              0.1730430
      4.8699100              0.9047650
      2.7428100              0.7788370
      1.7119200             -3.6748070
      1.0158000             -0.2814290
      0.5725730              4.3832080
      0.2878640             -1.3107940
      0.1415920             -2.0136030
      0.0675100              0.8160260
Pt    S
    413.6000000             -0.0000090
    103.5350000             -0.0001020
     64.1243000              0.0016960
     39.8615000             -0.0155390
     24.7987000              0.0798540
     13.9302000             -0.2597120
      7.8013800              0.1412320
      4.8699100              0.5472760
      2.7428100              0.1708990
      1.7119200             -0.8336090
      1.0158000             -1.2372210
      0.5725730              0.5347410
      0.2878640              1.6196050
      0.1415920              0.0999360
      0.0675100             -0.8380750
Pt    S
    413.6000000             -0.0000030
    103.5350000             -0.0001160
     64.1243000              0.0011680
     39.8615000             -0.0085740
     24.7987000              0.0407120
     13.9302000             -0.1279210
      7.8013800              0.0692260
      4.8699100              0.2586680
      2.7428100              0.0219490
      1.7119200             -0.2466890
      1.0158000             -0.3419970
      0.5725730             -0.2239690
      0.2878640              0.0985710
      0.1415920              0.4687040
      0.0675100              0.5216110
Pt    S
    413.6000000              0.0001010
    103.5350000             -0.0028110
     64.1243000              0.0117530
     39.8615000             -0.0121690
     24.7987000             -0.0757860
     13.9302000              0.3634740
      7.8013800              0.2182630
      4.8699100             -2.5719310
      2.7428100              0.7049640
      1.7119200              8.4353250
      1.0158000            -10.7771740
      0.5725730              2.0354810
      0.2878640              4.8458390
      0.1415920             -3.8200850
      0.0675100             -0.1992670
Pt    S
    413.6000000              0.0007230
    103.5350000             -0.0245520
     64.1243000              0.1165430
     39.8615000             -0.2862430
     24.7987000              0.3824860
     13.9302000             -0.4129910
      7.8013800              2.9730610
      4.8699100            -10.5360960
      2.7428100             17.8678350
      1.7119200             -8.5137410
      1.0158000            -10.8888750
      0.5725730             16.9161650
      0.2878640            -10.5173940
      0.1415920              2.4231110
      0.0675100              2.1083970
Pt    S
      0.0318870              1.0000000
Pt    P
      5.5695000              1.0000000
Pt    P
      3.4845000              1.0000000
Pt    P
    393.3780000              0.0000050
     34.4003000              0.0019530
     21.4843000             -0.0225700
     13.4194000              0.1043340
      8.3804900             -0.1002180
      5.1899400             -0.2322400
      1.8586300              0.3832730
      1.0315300              0.4888420
      0.5492050              0.2701700
      0.2700570              0.0549560
      0.1241700              0.0032310
      0.0562650              0.0007140
Pt    P
    393.3780000             -0.0000040
     34.4003000             -0.0010070
     21.4843000              0.0133030
     13.4194000             -0.0659420
      8.3804900              0.0680320
      5.1899400              0.1546200
      1.8586300             -0.3345030
      1.0315300             -0.4867300
      0.5492050              0.0680490
      0.2700570              0.6768730
      0.1241700              0.4130540
      0.0562650              0.0407020
Pt    P
    393.3780000              0.0000310
     34.4003000             -0.0011490
     21.4843000             -0.0147660
     13.4194000              0.1225100
      8.3804900             -0.0880640
      5.1899400             -0.6398770
      1.8586300              3.3651140
      1.0315300             -3.4776510
      0.5492050             -0.2409940
      0.2700570              2.2262310
      0.1241700             -1.0132520
      0.0562650             -0.3037430
Pt    P
    393.3780000             -0.0000200
     34.4003000              0.0006900
     21.4843000              0.0096580
     13.4194000             -0.0763270
      8.3804900              0.0588180
      5.1899400              0.3278770
      1.8586300             -0.9464050
      1.0315300             -0.6305640
      0.5492050              1.6323920
      0.2700570              0.2341700
      0.1241700             -0.9225510
      0.0562650             -0.1668600
Pt    P
    393.3780000             -0.0005760
     34.4003000              0.1051820
     21.4843000             -0.5513360
     13.4194000              1.5580790
      8.3804900             -2.4882440
      5.1899400              1.3706840
      1.8586300              3.5240310
      1.0315300             -8.2203150
      0.5492050              8.1974080
      0.2700570             -4.3726250
      0.1241700              0.7179430
      0.0562650              0.5610450
Pt    P
    393.3780000             -0.0000010
     34.4003000             -0.0005970
     21.4843000              0.0067220
     13.4194000             -0.0315200
      8.3804900              0.0334640
      5.1899400              0.0654460
      1.8586300             -0.1329850
      1.0315300             -0.1837780
      0.5492050             -0.0979100
      0.2700570              0.1553100
      0.1241700              0.4305860
      0.0562650              0.4499480
Pt    P
      0.0251200              1.0000000
Pt    D
      5.0803000              1.0000000
Pt    D
      3.1783000              1.0000000
Pt    D
     58.1968000              0.0000860
     20.2554000             -0.0006670
     12.6079000              0.0076160
      5.8790400             -0.0613110
      1.9818600              0.1725670
      1.1232200              0.2879770
      0.6296090              0.3035360
      0.3455230              0.2480300
      0.1837110              0.1567080
      0.0939850              0.0638530
Pt    D
     58.1968000              0.0008940
     20.2554000             -0.0093280
     12.6079000              0.0388740
      5.8790400             -0.2284820
      1.9818600              1.6233820
      1.1232200             -0.9640830
      0.6296090             -1.3247310
      0.3455230              1.1506530
      0.1837110              0.5492260
      0.0939850             -0.5367150
Pt    D
     58.1968000              0.0057080
     20.2554000             -0.0592650
     12.6079000              0.1047510
      5.8790400              0.1049320
      1.9818600             -2.8794460
      1.1232200              5.3285780
      0.6296090             -3.7713170
      0.3455230              0.2708710
      0.1837110              1.1748770
      0.0939850             -0.1838840
Pt    D
     58.1968000             -0.0001370
     20.2554000              0.0010940
     12.6079000             -0.0095830
      5.8790400              0.0753300
      1.9818600             -0.2469430
      1.1232200             -0.4422110
      0.6296090             -0.1577800
      0.3455230              0.2625890
      0.1837110              0.4399190
      0.0939850              0.2968390
Pt    D
     58.1968000              0.0004750
     20.2554000             -0.0045800
     12.6079000              0.0208790
      5.8790400             -0.1273270
      1.9818600              0.5802830
      1.1232200              0.5251810
      0.6296090             -0.7014920
      0.3455230             -0.6187960
      0.1837110              0.1625180
      0.0939850              0.5585850
Pt    D
      0.0451010              1.0000000
Pt    F
      3.5678000              1.0000000
Pt    F
      1.9822000              1.0000000
Pt    F
      1.1013000              1.0000000
Pt    F
      0.6119000              1.0000000
Pt    F
      0.2388000              1.0000000
Pt    G
      3.2988000              1.0000000
Pt    G
      1.8978000              1.0000000
Pt    G
      1.0918000              1.0000000
Pt    G
      0.4419000              1.0000000
Pt    H
      2.9743000              1.0000000
Pt    H
      1.7127000              1.0000000
Pt    H
      0.7332000              1.0000000
Pt    I
      2.9763000              1.0000000
Pt    I
      1.5370000              1.0000000
end


ecp "Pt_cc-pwCV5Z-PP"
Pt nelec 60
Pt ul
2       1.00000000             0.00000000
Pt S
2      14.60450000           429.64608700
2       7.21828700            73.15688400
Pt P
2      11.57716200            88.02291700
2      10.88384300           175.99819600
2       6.42440300            13.68227400
2       5.22419800            27.41465100
Pt D
2       7.69961000            43.55785200
2       7.55080800            65.36910800
2       3.96116400             7.01859600
2       3.87277700            11.39173300
Pt F
2       3.37986900            10.71022000
2       3.32625500            14.27812500
Pt G
2       5.45202000           -11.65174900
2       5.41258500           -14.37552500
end
basis "Au_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Au    S
      6.3156000              1.0000000
Au    S
      3.9472000              1.0000000
Au    S
   2324.0400000              0.0000030
    917.0200000              0.0000070
     99.3091000              0.0007340
     61.7576000             -0.0058780
     38.3722000              0.0385850
     23.9629000             -0.1865180
     14.8518000              0.4461470
      7.9748000             -0.2767230
      4.7979000             -0.6689850
      1.7624500              0.5133410
      1.0927300              0.5929010
      0.6305580              0.2922540
      0.3220500              0.0368020
      0.1500280              0.0018270
      0.0707590              0.0017390
Au    S
   2324.0400000              0.0000010
    917.0200000             -0.0000140
     99.3091000              0.0002500
     61.7576000             -0.0001510
     38.3722000             -0.0138720
     23.9629000              0.1050350
     14.8518000             -0.2897480
      7.9748000              0.1796510
      4.7979000              0.5943520
      1.7624500             -0.7488720
      1.0927300             -1.1281840
      0.6305580              0.3356590
      0.3220500              1.5685050
      0.1500280              0.2609500
      0.0707590             -0.7758610
Au    S
   2324.0400000             -0.0000090
    917.0200000              0.0000410
     99.3091000             -0.0020850
     61.7576000              0.0096910
     38.3722000             -0.0093610
     23.9629000             -0.0861150
     14.8518000              0.3172260
      7.9748000             -0.0933720
      4.7979000             -1.1703940
      1.7624500              2.5650190
      1.0927300              1.0641460
      0.6305580             -4.0684610
      0.3220500              0.4163440
      0.1500280              2.2127530
      0.0707590             -0.4168730
Au    S
   2324.0400000             -0.0000010
    917.0200000             -0.0000020
     99.3091000             -0.0002580
     61.7576000              0.0019860
     38.3722000             -0.0129440
     23.9629000              0.0639630
     14.8518000             -0.1584020
      7.9748000              0.1115380
      4.7979000              0.2433180
      1.7624500             -0.2557840
      1.0927300             -0.3014930
      0.6305580             -0.2435690
      0.3220500              0.0919910
      0.1500280              0.4686120
      0.0707590              0.5189930
Au    S
   2324.0400000              0.0000200
    917.0200000             -0.0000340
     99.3091000              0.0040870
     61.7576000             -0.0226460
     38.3722000              0.0858390
     23.9629000             -0.2978880
     14.8518000              0.6630540
      7.9748000             -0.3769950
      4.7979000             -1.7399470
      1.7624500              8.4493490
      1.0927300             -8.5698740
      0.6305580             -1.1404380
      0.3220500              5.7154930
      0.1500280             -2.7155450
      0.0707590             -1.2377560
Au    S
   2324.0400000              0.0004160
    917.0200000             -0.0011660
     99.3091000              0.0936780
     61.7576000             -0.4949870
     38.3722000              1.4412710
     23.9629000             -2.9997630
     14.8518000              4.5126530
      7.9748000             -5.6937090
      4.7979000              2.4951180
      1.7624500             12.9078360
      1.0927300            -27.4768700
      0.6305580             23.5667430
      0.3220500            -10.0647980
      0.1500280              0.4894190
      0.0707590              2.9837850
Au    S
      0.0333870              1.0000000
Au    P
      5.9859000              1.0000000
Au    P
      3.7451000              1.0000000
Au    P
    328.7810000              0.0000100
     34.4634000              0.0021880
     21.5245000             -0.0247150
     13.4462000              0.1189910
      8.3993700             -0.1383110
      5.2105900             -0.2161190
      2.0397000              0.3448980
      1.1690300              0.4866170
      0.6362200              0.2999080
      0.3221190              0.0712870
      0.1443720              0.0052310
      0.0637590              0.0005760
Au    P
    328.7810000             -0.0000100
     34.4634000             -0.0008980
     21.5245000              0.0131860
     13.4462000             -0.0709570
      8.3993700              0.0869630
      5.2105900              0.1454040
      2.0397000             -0.2952900
      1.1690300             -0.4670080
      0.6362200             -0.0675000
      0.3221190              0.6517920
      0.1443720              0.4987270
      0.0637590              0.0579680
Au    P
    328.7810000             -0.0000250
     34.4634000             -0.0001830
     21.5245000              0.0148010
     13.4462000             -0.0986940
      8.3993700              0.1097700
      5.2105900              0.3092700
      2.0397000             -0.8356210
      1.1690300             -0.8317760
      0.6362200              1.4766380
      0.3221190              0.5536050
      0.1443720             -0.9377790
      0.0637590             -0.2393930
Au    P
    328.7810000              0.0000590
     34.4634000             -0.0023740
     21.5245000             -0.0097520
     13.4462000              0.1231730
      8.3993700             -0.1055430
      5.2105900             -0.7086340
      2.0397000              3.3577160
      1.1690300             -2.8092060
      0.6362200             -1.2280120
      0.3221190              2.5200060
      0.1443720             -0.7479720
      0.0637590             -0.4731810
Au    P
    328.7810000             -0.0005040
     34.4634000              0.0721520
     21.5245000             -0.3918880
     13.4462000              1.1926390
      8.3993700             -1.9979090
      5.2105900              0.8884800
      2.0397000              4.5723960
      1.1690300             -9.4113300
      0.6362200              8.2266020
      0.3221190             -3.4028110
      0.1443720             -0.2106510
      0.0637590              0.9266450
Au    P
    328.7810000             -0.0000030
     34.4634000             -0.0006050
     21.5245000              0.0070450
     13.4462000             -0.0351680
      8.3993700              0.0440350
      5.2105900              0.0615980
      2.0397000             -0.1214490
      1.1690300             -0.1779290
      0.6362200             -0.1200270
      0.3221190              0.1180530
      0.1443720              0.4178910
      0.0637590              0.4778420
Au    P
      0.0277220              1.0000000
Au    D
      5.5185000              1.0000000
Au    D
      3.4524000              1.0000000
Au    D
     62.0309000              0.0000860
     21.0988000             -0.0007960
     13.1200000              0.0091360
      6.3125700             -0.0663010
      2.1414500              0.1655630
      1.2993700              0.2414410
      0.8103580              0.2710220
      0.4727070              0.2680130
      0.2556480              0.1868750
      0.1308950              0.0813140
Au    D
     62.0309000              0.0005220
     21.0988000             -0.0063810
     13.1200000              0.0389850
      6.3125700             -0.2607860
      2.1414500              2.0352880
      1.2993700             -1.3991200
      0.8103580             -1.4153190
      0.4727070              1.1668610
      0.2556480              0.7703110
      0.1308950             -0.6531500
Au    D
     62.0309000              0.0066450
     21.0988000             -0.0728300
     13.1200000              0.1334930
      6.3125700              0.1136240
      2.1414500             -3.8897240
      1.2993700              7.9048990
      0.8103580             -5.6743970
      0.4727070              0.4856670
      0.2556480              1.2298520
      0.1308950             -0.0718890
Au    D
     62.0309000             -0.0001590
     21.0988000              0.0014750
     13.1200000             -0.0128510
      6.3125700              0.0909690
      2.1414500             -0.2740770
      1.2993700             -0.4448840
      0.8103580             -0.2023240
      0.4727070              0.2203780
      0.2556480              0.4855030
      0.1308950              0.3016470
Au    D
     62.0309000              0.0005970
     21.0988000             -0.0065350
     13.1200000              0.0294950
      6.3125700             -0.1581000
      2.1414500              0.6914270
      1.2993700              0.5919970
      0.8103580             -0.7766420
      0.4727070             -0.7384040
      0.2556480              0.1831700
      0.1308950              0.5878850
Au    D
      0.0627790              1.0000000
Au    F
      3.5744000              1.0000000
Au    F
      2.0600000              1.0000000
Au    F
      1.1872000              1.0000000
Au    F
      0.6842000              1.0000000
Au    F
      0.2737000              1.0000000
Au    G
      3.4282000              1.0000000
Au    G
      2.0355000              1.0000000
Au    G
      1.2086000              1.0000000
Au    G
      0.4996000              1.0000000
Au    H
      3.1749000              1.0000000
Au    H
      1.8646000              1.0000000
Au    H
      0.8107000              1.0000000
Au    I
      3.1727000              1.0000000
Au    I
      1.6822000              1.0000000
end


ecp "Au_cc-pwCV5Z-PP"
Au nelec 60
Au ul
2       1.0000000              0.0000000
Au S
2      13.5232180            426.6418670
2       6.2643840             36.8006680
Au P
2      11.4138670             87.0020910
2      10.3292150            174.0043700
2       5.7074240              8.8706100
2       4.8281650             17.9024380
Au D
2       7.4309630             49.8836550
2       8.3219900             74.6845490
2       4.6096420              6.4862270
2       3.5115070              9.5468210
Au F
2       3.0846390              8.7916400
2       3.0247430             11.6584560
Au G
2       3.9784420             -5.2343370
2       4.0114910             -6.7381420
end
basis "Hg_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (93s,75p,53d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
Hg    S
      1.8256000              1.0000000
Hg    S
      1.1414000              1.0000000
Hg    S
  24256.2000000              0.0000030
   3773.4800000              0.0000180
    899.9870000              0.0000790
    252.0940000              0.0002410
     34.3579000              0.0149450
     21.3757000             -0.1402310
     13.3011000              0.4915750
      8.2431100             -0.3623860
      4.9065100             -0.6738120
      1.9632300              0.4542010
      1.2039600              0.6644760
      0.6707910              0.3089550
      0.3304660              0.0321810
      0.1568260             -0.0000440
      0.0736300              0.0003260
Hg    S
  24256.2000000             -0.0000020
   3773.4800000             -0.0000170
    899.9870000             -0.0000590
    252.0940000             -0.0002570
     34.3579000             -0.0089590
     21.3757000              0.0993720
     13.3011000             -0.3892820
      8.2431100              0.3190820
      4.9065100              0.6496910
      1.9632300             -0.7945380
      1.2039600             -1.4060670
      0.6707910              0.6675340
      0.3304660              1.7043280
      0.1568260             -0.1245670
      0.0736300             -0.8011920
Hg    S
  24256.2000000             -0.0000020
   3773.4800000             -0.0000310
    899.9870000             -0.0000380
    252.0940000             -0.0005310
     34.3579000             -0.0002660
     21.3757000              0.0731990
     13.3011000             -0.3664980
      8.2431100              0.1094650
      4.9065100              1.5137210
      1.9632300             -3.2985820
      1.2039600             -0.8118000
      0.6707910              5.2250350
      0.3304660             -2.1531590
      0.1568260             -1.7372880
      0.0736300              1.2073990
Hg    S
  24256.2000000              0.0000060
   3773.4800000              0.0000200
    899.9870000              0.0002590
    252.0940000              0.0000910
     34.3579000              0.0479380
     21.3757000             -0.3555650
     13.3011000              1.2352560
      8.2431100             -1.2614050
      4.9065100             -1.8952780
      1.9632300             12.3238010
      1.2039600            -16.1789660
      0.6707910              5.7670460
      0.3304660              3.3827640
      0.1568260             -4.6070450
      0.0736300              1.4773980
Hg    S
  24256.2000000             -0.0000010
   3773.4800000             -0.0000070
    899.9870000             -0.0000290
    252.0940000             -0.0000970
     34.3579000             -0.0049950
     21.3757000              0.0491500
     13.3011000             -0.1827300
      8.2431100              0.1565560
      4.9065100              0.2414620
      1.9632300             -0.2299770
      1.2039600             -0.3456990
      0.6707910             -0.2495710
      0.3304660              0.1161800
      0.1568260              0.4871720
      0.0736300              0.5069390
Hg    S
  24256.2000000              0.0000370
   3773.4800000             -0.0002500
    899.9870000              0.0023360
    252.0940000             -0.0071530
     34.3579000              0.5499930
     21.3757000             -2.9698880
     13.3011000              8.4001390
      8.2431100            -13.2880990
      4.9065100              9.4759520
      1.9632300              4.2099070
      1.2039600            -18.5514760
      0.6707910             22.5058300
      0.3304660            -16.4322810
      0.1568260              8.4903940
      0.0736300             -2.0261440
Hg    S
      0.0344940              1.0000000
Hg    P
      6.2027000              1.0000000
Hg    P
      3.8825000              1.0000000
Hg    P
    288.3090000              0.0000210
     36.9924000              0.0018080
     22.7990000             -0.0173540
     13.0084000              0.1210320
      8.1259700             -0.1882700
      5.0778000             -0.1876530
      2.1721700              0.3651650
      1.2037300              0.5184010
      0.6327000              0.2812800
      0.3046780              0.0517170
      0.1378950              0.0024510
      0.0613020              0.0007250
Hg    P
    288.3090000             -0.0000160
     36.9924000             -0.0008160
     22.7990000              0.0092200
     13.0084000             -0.0716170
      8.1259700              0.1189490
      5.0778000              0.1172920
      2.1721700             -0.2895890
      1.2037300             -0.4859980
      0.6327000              0.0129370
      0.3046780              0.6697570
      0.1378950              0.4412980
      0.0613020              0.0470940
Hg    P
    288.3090000              0.0000400
     36.9924000              0.0002120
     22.7990000             -0.0101090
     13.0084000              0.1037390
      8.1259700             -0.1635530
      5.0778000             -0.2842960
      2.1721700              0.8632620
      1.2037300              0.8006590
      0.6327000             -1.6073300
      0.3046780             -0.3404670
      0.1378950              0.9449840
      0.0613020              0.1575370
Hg    P
    288.3090000             -0.0000840
     36.9924000              0.0012770
     22.7990000              0.0088120
     13.0084000             -0.1473780
      8.1259700              0.2207080
      5.0778000              0.6673770
      2.1721700             -3.3382180
      1.2037300              2.9409630
      0.6327000              0.7752990
      0.3046780             -2.3927820
      0.1378950              1.0171480
      0.0613020              0.3120220
Hg    P
    288.3090000              0.0007530
     36.9924000             -0.0668820
     22.7990000              0.3141000
     13.0084000             -1.1946480
      8.1259700              2.4403600
      5.0778000             -1.4844780
      2.1721700             -3.6799730
      1.2037300              8.1501310
      0.6327000             -7.6441180
      0.3046780              3.8692040
      0.1378950             -0.5225200
      0.0613020             -0.6150040
Hg    P
    288.3090000             -0.0000060
     36.9924000             -0.0004730
     22.7990000              0.0047100
     13.0084000             -0.0345910
      8.1259700              0.0577730
      5.0778000              0.0499530
      2.1721700             -0.1229220
      1.2037300             -0.1841060
      0.6327000             -0.0998690
      0.3046780              0.1448820
      0.1378950              0.4229010
      0.0613020              0.4578930
Hg    P
      0.0269050              1.0000000
Hg    D
      3.7983000              1.0000000
Hg    D
      2.1417000              1.0000000
Hg    D
    154.4910000              0.0000180
     37.9614000              0.0003490
     23.3802000             -0.0014990
     14.3727000              0.0093000
      6.6541500             -0.0667360
      2.2020300              0.2007360
      1.2220700              0.3346350
      0.6600980              0.3302200
      0.3460210              0.2287980
      0.1747850              0.1025690
Hg    D
    154.4910000              0.0006730
     37.9614000             -0.0124050
     23.3802000              0.0394630
     14.3727000             -0.0309370
      6.6541500             -0.1963830
      2.2020300              2.4360170
      1.2220700             -3.4313870
      0.6600980              1.1267870
      0.3460210              1.1238320
      0.1747850             -0.8229660
Hg    D
    154.4910000              0.0000040
     37.9614000             -0.0011470
     23.3802000              0.0042700
     14.3727000             -0.0161490
      6.6541500              0.1016560
      2.2020300             -0.3968020
      1.2220700             -0.5537970
      0.6600980              0.1165630
      0.3460210              0.5310330
      0.1747850              0.3419080
Hg    D
    154.4910000              0.0001880
     37.9614000             -0.0058490
     23.3802000              0.0211390
     14.3727000             -0.0471680
      6.6541500              0.1905930
      2.2020300             -1.0589730
      1.2220700             -0.0180850
      0.6600980              1.3513820
      0.3460210             -0.2038810
      0.1747850             -0.6419630
Hg    D
    154.4910000              0.0060650
     37.9614000             -0.1324840
     23.3802000              0.4485970
     14.3727000             -0.6302650
      6.6541500              0.4723660
      2.2020300              1.9586280
      1.2220700             -5.3396920
      0.6600980              6.6326640
      0.3460210             -4.7620760
      0.1747850              1.5787430
Hg    D
      0.0831130              1.0000000
Hg    F
      3.7964000              1.0000000
Hg    F
      2.2237000              1.0000000
Hg    F
      1.3026000              1.0000000
Hg    F
      0.7630000              1.0000000
Hg    F
      0.3098000              1.0000000
Hg    G
      3.7009000              1.0000000
Hg    G
      2.2272000              1.0000000
Hg    G
      1.3403000              1.0000000
Hg    G
      0.5639000              1.0000000
Hg    H
      3.3873000              1.0000000
Hg    H
      2.0161000              1.0000000
Hg    H
      0.8884000              1.0000000
Hg    I
      3.3725000              1.0000000
Hg    I
      1.8261000              1.0000000
end


ecp "Hg_cc-pwCV5Z-PP"
Hg nelec 60
Hg ul
2       1.0000000              0.0000000
Hg S
2      12.4130710            275.7747970
2       6.8979130             49.2678980
Hg P
2      11.3103200             80.5069840
2      10.2107730            161.0348240
2       5.9398040              9.0834160
2       5.0197550             18.3677730
Hg D
2       8.4078950             51.1372560
2       8.2140860             76.7074590
2       4.0126120              6.5618210
2       3.7953980              9.8180700
Hg F
2       3.2731060              9.4290010
2       3.2083210             12.4948560
Hg G
2       4.4852960             -6.3384140
2       4.5132000             -8.0998630
end
basis "Tl_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,16d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
Tl    S
     13.1518000              1.000000E+00
Tl    S
      5.782100E+00           1.000000E+00
Tl    S
      3.601900E+00           1.000000E+00
Tl    S
      2.243800E+00           1.000000E+00
Tl    S
  24779.2000000              0.0000020
   4291.5900000              0.0000140
   1100.5600000              0.0000640
    301.3150000              0.0002190
     33.6611000              0.0216670
     21.0398000             -0.1981520
      8.2204900             -0.6242260
      4.8960100             -0.6028630
      2.0188000              0.5829170
      1.1647400              0.6744600
Tl    S
      1.397700E+00           1.000000E+00
Tl    S
      0.6402480              1.0000000
Tl    S
      0.3292660              1.0000000
Tl    S
      0.1685090              1.0000000
Tl    S
      0.0836670              1.0000000
Tl    S
      0.0397310              1.0000000
Tl    P
      1.505070E+01           1.000000E+00
Tl    P
     13.1714000              1.000000E+00
Tl    P
      6.303500E+00           1.000000E+00
Tl    P
      2.640000E+00           1.000000E+00
Tl    P
    238.8160000              0.0000550
     33.7189000              0.0031600
     21.0738000             -0.0278660
      6.9298400             -0.3211460
      4.3311200             -0.0566560
      2.1490400              0.4499920
      1.1560700              0.5213450
Tl    P
      1.105700E+00           1.000000E+00
Tl    P
      0.5955190              1.0000000
Tl    P
      0.2689230              1.0000000
Tl    P
      0.1217440              1.0000000
Tl    P
      0.0541370              1.0000000
Tl    P
      0.0238510              1.0000000
Tl    D
      6.447600E+00           1.000000E+00
Tl    D
      3.545200E+00           1.000000E+00
Tl    D
      1.949300E+00           1.000000E+00
Tl    D
    359.9200000              0.0000040
    141.7010000              0.0000280
     51.3298000              0.0002060
     10.5875000              0.0197440
      6.4543600             -0.0905470
      2.4050100              0.1826240
      1.4472400              0.2889170
      0.8698190              0.3047840
Tl    D
      1.071800E+00           1.000000E+00
Tl    D
      0.5052270              1.0000000
Tl    D
      0.2783030              1.0000000
Tl    D
      0.1438170              1.0000000
Tl    D
      0.0620000              1.0000000
Tl    F
      5.225800E+00           1.000000E+00
Tl    F
      3.039700E+00           1.000000E+00
Tl    F
      1.768100E+00           1.000000E+00
Tl    F
      1.028500E+00           1.000000E+00
Tl    F
      0.5080000              1.0000000
Tl    F
      0.2518000              1.0000000
Tl    F
      0.1248000              1.0000000
Tl    G
      3.867700E+00           1.000000E+00
Tl    G
      2.051400E+00           1.000000E+00
Tl    G
      1.088000E+00           1.000000E+00
Tl    G
      0.5124000              1.0000000
Tl    G
      0.2420000              1.0000000
Tl    H
      3.312200E+00           1.000000E+00
Tl    H
      1.156200E+00           1.000000E+00
Tl    H
      0.4583000              1.0000000
Tl    I
      1.086900E+00           1.000000E+00
end


ecp "Tl_cc-pwCV5Z-PP"
Tl nelec 60
Tl ul
2       1.0000000              0.0000000
Tl S
2      12.1678050            281.2846630
2       8.2949090             62.4342510
Tl P
2       7.1514920              4.6334080
2       5.1728650              9.3417560
2       9.8910720             72.2992530
2       9.0033910            144.5580370
Tl D
2       7.1302180             35.9430390
2       6.9269060             53.9095930
2       5.4175700             10.3819390
2       5.1386810             15.5838220
Tl F
2       5.6263990             15.8254880
2       5.5489520             21.1040210
2       2.8749460              2.9151270
2       2.8214510              3.8969030
Tl G
2       6.6790570             -7.4945340
2       6.7068350             -9.5405750
2       7.2092840             -7.7979920
2       7.0709640             -9.2595240
end
basis "Pb_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,16d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
Pb    S
     13.5637000              1.000000E+00
Pb    S
      6.347500E+00           1.000000E+00
Pb    S
      3.964500E+00           1.000000E+00
Pb    S
      2.476100E+00           1.000000E+00
Pb    S
  24689.5000000              0.0000040
   4473.2300000              0.0000230
   1061.6600000              0.0001140
    279.2390000              0.0003680
     34.7542000              0.0230860
     21.7097000             -0.2044980
      8.4734700             -0.6539600
      5.1195600             -0.6010240
      2.1199600              0.5864660
      1.2552900              0.6575120
Pb    S
      1.546500E+00           1.000000E+00
Pb    S
      0.7202840              1.0000000
Pb    S
      0.3778020              1.0000000
Pb    S
      0.1976990              1.0000000
Pb    S
      0.0986230              1.0000000
Pb    S
      0.0470370              1.0000000
Pb    P
     12.7405000              1.000000E+00
Pb    P
      6.662600E+00           1.000000E+00
Pb    P
      3.852100E+00           1.000000E+00
Pb    P
      2.227200E+00           1.000000E+00
Pb    P
    240.5890000              0.0000700
     39.7768000              0.0015640
     20.4279000             -0.0264930
      7.5519000             -0.3274080
      4.7200300             -0.1057490
      2.3715200              0.4192430
      1.2982400              0.5397190
Pb    P
      1.287700E+00           1.000000E+00
Pb    P
      0.6810700              1.0000000
Pb    P
      0.3176500              1.0000000
Pb    P
      0.1513980              1.0000000
Pb    P
      0.0703100              1.0000000
Pb    P
      0.0318450              1.0000000
Pb    D
      6.752400E+00           1.000000E+00
Pb    D
      3.783000E+00           1.000000E+00
Pb    D
      2.119400E+00           1.000000E+00
Pb    D
    345.3720000              0.0000090
    117.6440000              0.0000650
     46.1653000              0.0003370
     12.5614000              0.0114430
      6.7103300             -0.0753070
      2.5823000              0.1800080
      1.5720800              0.2985180
      0.9394450              0.3215610
Pb    D
      1.187400E+00           1.000000E+00
Pb    D
      0.5416330              1.0000000
Pb    D
      0.3005880              1.0000000
Pb    D
      0.1597120              1.0000000
Pb    D
      0.0726000              1.0000000
Pb    F
      5.435300E+00           1.000000E+00
Pb    F
      3.153900E+00           1.000000E+00
Pb    F
      1.830000E+00           1.000000E+00
Pb    F
      1.061900E+00           1.000000E+00
Pb    F
      0.5329000              1.0000000
Pb    F
      0.2677000              1.0000000
Pb    F
      0.1345000              1.0000000
Pb    G
      4.077400E+00           1.000000E+00
Pb    G
      2.158500E+00           1.000000E+00
Pb    G
      1.142700E+00           1.000000E+00
Pb    G
      0.5368000              1.0000000
Pb    G
      0.2550000              1.0000000
Pb    H
      3.565800E+00           1.000000E+00
Pb    H
      1.216900E+00           1.000000E+00
Pb    H
      0.4831000              1.0000000
Pb    I
      1.151500E+00           1.000000E+00
end


ecp "Pb_cc-pwCV5Z-PP"
Pb nelec 60
Pb ul
2       1.0000000              0.0000000
Pb S
2      12.2963030            281.2854990
2       8.6326340             62.5202170
Pb P
2      10.2417900             72.2768970
2       8.9241760            144.5910830
2       6.5813420              4.7586930
2       6.2554030              9.9406210
Pb D
2       7.7543360             35.8485070
2       7.7202810             53.7243420
2       4.9702640             10.1152560
2       4.5637890             14.8337310
Pb F
2       3.8875120             12.2098920
2       3.8119630             16.1902910
Pb G
2       5.6915770             -9.0966650
2       5.7155670            -11.5319960
end
basis "Bi_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,16d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
Bi    S
     14.3185000              1.000000E+00
Bi    S
      6.783900E+00           1.000000E+00
Bi    S
      4.232300E+00           1.000000E+00
Bi    S
      2.640500E+00           1.000000E+00
Bi    S
  26111.4000000              0.0000070
   3868.0900000              0.0000520
    869.4990000              0.0002450
    238.7410000              0.0006630
     36.6745000              0.0211220
     22.9129000             -0.1819260
      8.9484800             -0.5465570
      5.2606800             -0.7303930
      3.1208900              0.2672950
      1.7055600              0.8380310
Bi    S
      1.647300E+00           1.000000E+00
Bi    S
      0.9284240              1.0000000
Bi    S
      0.4337070              1.0000000
Bi    S
      0.2386830              1.0000000
Bi    S
      0.1202630              1.0000000
Bi    S
      0.0577550              1.0000000
Bi    P
     12.8441000              1.000000E+00
Bi    P
      7.098600E+00           1.000000E+00
Bi    P
      4.118300E+00           1.000000E+00
Bi    P
      2.389200E+00           1.000000E+00
Bi    P
    267.3460000              0.0000840
     50.0862000              0.0009300
     20.5562000             -0.0243210
      8.0272800             -0.3326240
      5.0173400             -0.1218380
      2.5056800              0.4228110
      1.3820500              0.5453330
Bi    P
      1.386100E+00           1.000000E+00
Bi    P
      0.7339630              1.0000000
Bi    P
      0.3494940              1.0000000
Bi    P
      0.1712190              1.0000000
Bi    P
      0.0821660              1.0000000
Bi    P
      0.0383820              1.0000000
Bi    D
      7.064000E+00           1.000000E+00
Bi    D
      3.811400E+00           1.000000E+00
Bi    D
      2.056500E+00           1.000000E+00
Bi    D
    174.9150000              0.0000580
     51.9301000              0.0004330
     13.6852000              0.0103670
      6.8874300             -0.0777290
      4.1825000              0.0106610
      2.6122700              0.2111050
      1.5458400              0.3425200
      0.8937710              0.3300380
Bi    D
      1.109600E+00           1.000000E+00
Bi    D
      0.5018990              1.0000000
Bi    D
      0.2723090              1.0000000
Bi    D
      0.1484480              1.0000000
Bi    D
      0.0788000              1.0000000
Bi    F
      5.647800E+00           1.000000E+00
Bi    F
      3.307700E+00           1.000000E+00
Bi    F
      1.937200E+00           1.000000E+00
Bi    F
      1.134600E+00           1.000000E+00
Bi    F
      0.5654000              1.0000000
Bi    F
      0.2937000              1.0000000
Bi    F
      0.1525000              1.0000000
Bi    G
      4.369600E+00           1.000000E+00
Bi    G
      2.313600E+00           1.000000E+00
Bi    G
      1.224900E+00           1.000000E+00
Bi    G
      0.5762000              1.0000000
Bi    G
      0.2802000              1.0000000
Bi    H
      3.836700E+00           1.000000E+00
Bi    H
      1.300200E+00           1.000000E+00
Bi    H
      0.5223000              1.0000000
Bi    I
      1.228500E+00           1.000000E+00
end


ecp "Bi_cc-pwCV5Z-PP"
Bi nelec 60
Bi ul
2       1.0000000              0.0000000
Bi S
2      13.0430900            283.2642270
2       8.2216820             62.4719590
Bi P
2      10.4677770             72.0014990
2       9.1189010            144.0022770
2       6.7547910              5.0079450
2       6.2525920              9.9915500
Bi D
2       8.0814740             36.3962590
2       7.8905950             54.5976640
2       4.9555560              9.9842940
2       4.7045590             14.9814850
Bi F
2       4.2145460             13.7133830
2       4.1334000             18.1943080
Bi G
2       6.2057090            -10.2474430
2       6.2277820            -12.9557100
end
basis "Po_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,16d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
Po    S
     14.7926000              1.000000E+00
Po    S
      7.210600E+00           1.000000E+00
Po    S
      4.503600E+00           1.000000E+00
Po    S
      2.812800E+00           1.000000E+00
Po    S
  24093.4000000              0.0000140
   3632.1700000              0.0001030
    822.3080000              0.0004690
    227.4720000              0.0012100
     38.3868000              0.0224960
     23.9396000             -0.1768370
      9.2393100             -0.5346900
      5.5759400             -0.7302180
      3.2541200              0.2305460
      1.8347100              0.8404390
Po    S
      1.756800E+00           1.000000E+00
Po    S
      1.0106300              1.0000000
Po    S
      0.4702110              1.0000000
Po    S
      0.2606210              1.0000000
Po    S
      0.1321390              1.0000000
Po    S
      0.0631820              1.0000000
Po    P
     13.1688000              1.000000E+00
Po    P
      7.309500E+00           1.000000E+00
Po    P
      4.338300E+00           1.000000E+00
Po    P
      2.574900E+00           1.000000E+00
Po    P
      1.528200E+00           1.000000E+00
Po    P
    300.3270000              0.0000980
     59.9384000              0.0007980
     21.0811000             -0.0223260
      8.2240900             -0.3464910
      5.1369000             -0.1101690
      2.6029200              0.4385830
      1.4465300              0.5437050
Po    P
      0.7783430              1.0000000
Po    P
      0.3785540              1.0000000
Po    P
      0.1850400              1.0000000
Po    P
      0.0884920              1.0000000
Po    P
      0.0412740              1.0000000
Po    D
      7.380800E+00           1.000000E+00
Po    D
      4.101800E+00           1.000000E+00
Po    D
      2.279500E+00           1.000000E+00
Po    D
    174.4440000              0.0000790
     52.2233000              0.0005800
     14.5970000              0.0100390
      7.0593700             -0.0800950
      4.3570700              0.0199620
      2.7184400              0.2167420
      1.6501100              0.3354280
      0.9858520              0.3198530
Po    D
      1.266800E+00           1.000000E+00
Po    D
      0.5725360              1.0000000
Po    D
      0.3236310              1.0000000
Po    D
      0.1852220              1.0000000
Po    D
      0.0915000              1.0000000
Po    F
      5.826900E+00           1.000000E+00
Po    F
      3.448400E+00           1.000000E+00
Po    F
      2.040700E+00           1.000000E+00
Po    F
      1.207700E+00           1.000000E+00
Po    F
      0.5912000              1.0000000
Po    F
      0.3063000              1.0000000
Po    F
      0.1587000              1.0000000
Po    G
      4.612600E+00           1.000000E+00
Po    G
      2.410700E+00           1.000000E+00
Po    G
      1.259900E+00           1.000000E+00
Po    G
      0.5800000              1.0000000
Po    G
      0.2738000              1.0000000
Po    H
      4.051800E+00           1.000000E+00
Po    H
      1.337000E+00           1.000000E+00
Po    H
      0.5070000              1.0000000
Po    I
      1.328100E+00           1.000000E+00
end


ecp "Po_cc-pwCV5Z-PP"
Po nelec 60
Po ul
2       1.0000000              0.0000000
Po S
2      13.2772270            283.2447060
2       8.3995180             62.3964610
Po P
2      10.6656820             71.9917160
2       9.2837530            143.9718710
2       6.8727490              4.9496150
2       6.3261500              9.7404990
Po D
2       8.2148660             36.3783830
2       8.0086960             54.5627150
2       5.0552270              9.8894990
2       4.7825530             14.6938770
Po F
2       5.0132700             17.4282950
2       4.9846400             23.3803530
2       1.3267600              0.1633920
2       1.5287580              0.3245660
Po G
2       6.7715260            -11.5632940
2       6.7779250            -14.5097880
end
basis "At_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,16d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
At    S
     15.2914000              1.000000E+00
At    S
      7.659500E+00           1.000000E+00
At    S
      4.787200E+00           1.000000E+00
At    S
      2.992000E+00           1.000000E+00
At    S
  26533.4000000              0.0000090
   3957.8600000              0.0000710
    892.4600000              0.0003240
    245.3390000              0.0008230
     39.2694000              0.0191060
     24.4820000             -0.1706520
      9.5451100             -0.5482790
      5.7515200             -0.7499610
      3.5158900              0.2444150
      1.9380100              0.8604720
At    S
      1.870000E+00           1.000000E+00
At    S
      1.0751200              1.0000000
At    S
      0.5125820              1.0000000
At    S
      0.2799900              1.0000000
At    S
      0.1424200              1.0000000
At    S
      0.0682950              1.0000000
At    P
     13.5451000              1.000000E+00
At    P
      7.817600E+00           1.000000E+00
At    P
      4.650200E+00           1.000000E+00
At    P
      2.766100E+00           1.000000E+00
At    P
      1.645300E+00           1.000000E+00
At    P
    328.9750000              0.0001180
     69.3728000              0.0008030
     21.6799000             -0.0203320
      8.4637200             -0.3521700
      5.2876300             -0.1046990
      2.7272200              0.4428480
      1.5366300              0.5407520
At    P
      0.8423330              1.0000000
At    P
      0.4220430              1.0000000
At    P
      0.2090570              1.0000000
At    P
      0.1006150              1.0000000
At    P
      0.0469200              1.0000000
At    D
      7.649600E+00           1.000000E+00
At    D
      4.355700E+00           1.000000E+00
At    D
      2.480100E+00           1.000000E+00
At    D
    180.1330000              0.0001010
     53.4782000              0.0007500
     15.4735000              0.0100230
      7.1490000             -0.0856100
      4.4604700              0.0377150
      2.7588100              0.2315430
      1.7221100              0.3222190
      1.0707400              0.3038550
At    D
      1.412200E+00           1.000000E+00
At    D
      0.6403180              1.0000000
At    D
      0.3662910              1.0000000
At    D
      0.2051390              1.0000000
At    D
      0.1017000              1.0000000
At    F
      6.157500E+00           1.000000E+00
At    F
      3.678900E+00           1.000000E+00
At    F
      2.198000E+00           1.000000E+00
At    F
      1.313300E+00           1.000000E+00
At    F
      0.6331000              1.0000000
At    F
      0.3439000              1.0000000
At    F
      0.1868000              1.0000000
At    G
      4.940500E+00           1.000000E+00
At    G
      2.587100E+00           1.000000E+00
At    G
      1.354700E+00           1.000000E+00
At    G
      0.6184000              1.0000000
At    G
      0.2983000              1.0000000
At    H
      4.333700E+00           1.000000E+00
At    H
      1.428700E+00           1.000000E+00
At    H
      0.5419000              1.0000000
At    I
      1.429600E+00           1.000000E+00
end


ecp "At_cc-pwCV5Z-PP"
At nelec 60
At ul
2       1.0000000              0.0000000
At S
2      30.2008320             49.9571580
2      13.6123060            283.2103710
2       8.5293400             62.2810520
At P
2      10.8540650             71.9823710
2       9.4682290            143.9035320
2       7.0311140              4.8717590
2       6.1438580              8.9830590
At D
2       8.3135150             36.3632370
2       7.9989650             54.5489700
2       5.1799660              9.7762850
2       4.9422260             14.2647550
At F
2       5.8121630             19.8701980
2       5.7537150             26.4164520
2       2.5134720              0.9949700
2       2.5362610              1.4907010
At G
2       9.8957780            -22.2232030
2       9.7373340            -26.7154760
2       3.0133310             -0.3730440
2       3.0977630             -0.4859460
end
basis "Rn_cc-pwCV5Z-PP" SPHERICAL 
#basis SET: (20s,17p,16d,7f,5g,3h,1i) -> [11s,11p,9d,7f,5g,3h,1i]
Rn    S
     15.7590000              1.000000E+00
Rn    S
      8.070700E+00           1.000000E+00
Rn    S
      5.044700E+00           1.000000E+00
Rn    S
      3.153200E+00           1.000000E+00
Rn    S
  30127.1000000              0.0000160
   4530.1400000              0.0001220
   1029.7900000              0.0005590
    286.3910000              0.0014970
     65.2693000              0.0045550
     25.2287000             -0.1090850
      9.8436800             -0.4760410
      6.0108400             -0.7241700
      3.1828000              0.3018500
      1.9239900              0.8301260
Rn    S
      1.971000E+00           1.000000E+00
Rn    S
      1.0941600              1.0000000
Rn    S
      0.5385400              1.0000000
Rn    S
      0.2864980              1.0000000
Rn    S
      0.1474430              1.0000000
Rn    S
      0.0720380              1.0000000
Rn    P
     13.8732000              1.000000E+00
Rn    P
      8.304000E+00           1.000000E+00
Rn    P
      4.919600E+00           1.000000E+00
Rn    P
      2.914600E+00           1.000000E+00
Rn    P
      1.726700E+00           1.000000E+00
Rn    P
    355.9650000              0.0001420
     77.6233000              0.0008820
     22.2008000             -0.0189140
      8.6706300             -0.3682600
      5.4171300             -0.0886670
      2.8000500              0.4718560
      1.5780700              0.5371120
Rn    P
      0.8689520              1.0000000
Rn    P
      0.4447990              1.0000000
Rn    P
      0.2228420              1.0000000
Rn    P
      0.1088390              1.0000000
Rn    P
      0.0514910              1.0000000
Rn    D
      7.997900E+00           1.000000E+00
Rn    D
      4.392100E+00           1.000000E+00
Rn    D
      2.411900E+00           1.000000E+00
Rn    D
    180.8880000              0.0001330
     53.8241000              0.0009720
     16.1471000              0.0106480
      7.4060200             -0.0853360
      4.6258700              0.0400760
      2.8680400              0.2559490
      1.7145200              0.3777430
      1.0040200              0.3027090
Rn    D
      1.324500E+00           1.000000E+00
Rn    D
      0.5918640              1.0000000
Rn    D
      0.3663050              1.0000000
Rn    D
      0.2265360              1.0000000
Rn    D
      0.1222000              1.0000000
Rn    F
      6.467800E+00           1.000000E+00
Rn    F
      3.894100E+00           1.000000E+00
Rn    F
      2.344600E+00           1.000000E+00
Rn    F
      1.411600E+00           1.000000E+00
Rn    F
      0.6669000              1.0000000
Rn    F
      0.3861000              1.0000000
Rn    F
      0.2235000              1.0000000
Rn    G
      5.287000E+00           1.000000E+00
Rn    G
      2.786300E+00           1.000000E+00
Rn    G
      1.468400E+00           1.000000E+00
Rn    G
      0.6682000              1.0000000
Rn    G
      0.3280000              1.0000000
Rn    H
      4.633800E+00           1.000000E+00
Rn    H
      1.536600E+00           1.000000E+00
Rn    H
      0.5901000              1.0000000
Rn    I
      1.536000E+00           1.000000E+00
end


ecp "Rn_cc-pwCV5Z-PP"
Rn nelec 60
Rn ul
2       1.0000000              0.0000000
Rn S
2      30.1512420             49.9655510
2      14.5212410            283.0700000
2       8.0520380             62.0028700
Rn P
2      11.0099420             71.9691190
2       9.6176250            143.8605590
2       7.3360080              4.7147610
2       6.4062530              9.0130650
Rn D
2       8.3692200             36.3683650
2       8.1169750             54.5517610
2       5.3536560              9.6344870
2       5.0972120             14.3879020
Rn F
2       6.3485710             21.7972900
2       6.2959490             28.9468050
2       2.8821180              1.4473650
2       2.9080480              2.1779640
Rn G
2      11.0152050            -25.2280950
2      10.9098530            -30.5661210
2       3.4827610             -0.5748000
2       3.6004180             -0.7795380
end
