# BSE Version v0.8.4+29.gb6d6a1b
# Data downloaded at 2019-06-24T14:04
# cc-pvtz-pp version number 0
# Description: cc-pVTZ-PP
# Role: orbital
# 
# ********************************************************************************
# If you downloaded data from the basis set
# exchange or used the basis set exchange python library, please cite:
# ********************************************************************************
#     Pritchard, Benjamin P., Altarawy, Doaa, Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     Manuscript in preparation
# 
#     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
# 
#     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-pVTZ-PP
#     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
# 
#     ## Stuttgart-Koeln MCDHF RSC ECP
#     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
# 
# Ga-As,In-Sb,Pb,Bi
#     ## cc-pVTZ-PP
#     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
# 
#     ## Stuttgart-Koeln MCDHF RSC ECP
#     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
# 
# Se-Kr,Te,Xe,Po-Rn
#     ## cc-pVTZ-PP
#     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
# 
#     ## Stuttgart-Koeln MCDHF RSC ECP
#     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
# 
# Y-Pd
#     ## cc-pVTZ-PP
#     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
# 
#     ## Stuttgart-Koeln MCDHF RSC ECP
#     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
# 
# I
#     ## cc-pVTZ-PP
#     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
# 
#     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
# 
#     ## Stuttgart-Koeln MCDHF RSC ECP
#     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
# 
#     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
# 
# Hf-Pt
#     ## cc-pVTZ-PP
#     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
# 
#     ## Stuttgart-Koeln MCDHF RSC ECP
#     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
# 
# Tl
#     ## cc-pVTZ-PP
#     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
# 
#     ## Stuttgart-Koeln MCDHF RSC ECP
#     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
# 
# # 
basis "Cu_cc-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Cu    S
   1946.3500000              0.0001730
    277.9450000              0.0009580
     60.0108000             -0.0139320
     37.5138000              0.0666720
     10.9688000             -0.4144860
      2.3353600              0.7319850
      0.9775800              0.4735590
      0.1858870              0.0288600
      0.0948510             -0.0143780
Cu    S
   1946.3500000             -0.0000430
    277.9450000             -0.0001730
     60.0108000              0.0021820
     37.5138000             -0.0132150
     10.9688000              0.0954600
      2.3353600             -0.2048920
      0.9775800             -0.2429550
      0.1858870              0.2128160
      0.0948510              0.5320730
Cu    S
   1946.3500000             -0.0000850
    277.9450000             -0.0004180
     60.0108000              0.0051250
     37.5138000             -0.0280790
     10.9688000              0.2066260
      2.3353600             -0.6763950
      0.9775800              0.0068900
      0.1858870              1.6771590
      0.0948510             -0.4592680
Cu    S
   1946.3500000             -0.0003310
    277.9450000              0.0007840
     60.0108000             -0.0199370
     37.5138000             -0.0064730
     10.9688000              0.4304630
      2.3353600             -2.3103570
      0.9775800              2.2981990
      0.1858870              0.3918090
      0.0948510             -2.2238270
Cu    S
      0.0403630              1.0000000
Cu    P
    395.0250000              0.0002060
     64.7808000              0.0038720
     17.8335000             -0.0831640
      4.3595800              0.3467890
      2.0181600              0.4867620
      0.9023120              0.2722850
      0.3122900              0.0339860
      0.1156800             -0.0036900
Cu    P
    395.0250000             -0.0000510
     64.7808000             -0.0007000
     17.8335000              0.0170850
      4.3595800             -0.0814680
      2.0181600             -0.1198010
      0.9023120             -0.0599620
      0.3122900              0.2354600
      0.1156800              0.5603760
Cu    P
    395.0250000             -0.0001220
     64.7808000             -0.0012420
     17.8335000              0.0352160
      4.3595800             -0.1894850
      2.0181600             -0.2432280
      0.9023120              0.0252340
      0.3122900              0.5801290
      0.1156800              0.4825400
Cu    P
    395.0250000             -0.0003940
     64.7808000             -0.0013450
     17.8335000              0.0791750
      4.3595800             -0.5949390
      2.0181600             -0.4104190
      0.9023120              1.0418980
      0.3122900              0.3430100
      0.1156800             -0.8397400
Cu    P
      0.0417450              1.0000000
Cu    D
    134.0680000              0.0029660
     42.2407000              0.0273300
     16.5467000              0.1001680
      7.0122700              0.2319250
      3.0244600              0.3392610
      1.2646100              0.3452250
      0.4962380              0.2466370
Cu    D
    134.0680000             -0.0036790
     42.2407000             -0.0338610
     16.5467000             -0.1283960
      7.0122700             -0.3011240
      3.0244600             -0.3197480
      1.2646100              0.0845510
      0.4962380              0.5018780
Cu    D
    134.0680000              0.0045260
     42.2407000              0.0423250
     16.5467000              0.1662100
      7.0122700              0.4031220
      3.0244600              0.0713050
      1.2646100             -0.7108880
      0.4962380             -0.1463320
Cu    D
      0.1731340              1.0000000
Cu    F
      5.1411000              1.0000000
Cu    F
      1.2848000              1.0000000
Cu    G
      3.4525000              1.0000000
end


ecp "Cu_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Zn    S
   2203.4100000              0.0001500
    315.5820000              0.0008300
     66.4556000             -0.0132000
     41.6666000              0.0630870
     11.8328000             -0.4147250
      2.5399600              0.7387780
      1.0595000              0.4718890
      0.1997510              0.0233840
      0.1016300             -0.0127000
Zn    S
   2203.4100000             -0.0000380
    315.5820000             -0.0001490
     66.4556000              0.0021030
     41.6666000             -0.0126920
     11.8328000              0.0971100
      2.5399600             -0.2118140
      1.0595000             -0.2473130
      0.1997510              0.2579730
      0.1016300              0.5405670
Zn    S
   2203.4100000              0.0001330
    315.5820000              0.0003060
     66.4556000             -0.0026540
     41.6666000              0.0319690
     11.8328000             -0.3133110
      2.5399600              1.2334750
      1.0595000             -0.5532890
      0.1997510             -2.0634140
      0.1016300              1.6067170
Zn    S
   2203.4100000              0.0004580
    315.5820000             -0.0026650
     66.4556000              0.0533970
     41.6666000             -0.0535800
     11.8328000             -0.3866060
      2.5399600              2.5219240
      1.0595000             -2.9926140
      0.1997510              1.9513600
      0.1016300             -0.4226390
Zn    S
      0.0425660              1.0000000
Zn    P
    558.2510000              0.0001280
     87.5501000              0.0025050
     19.6744000             -0.0799920
      4.6596900              0.3618820
      2.1399800              0.4894150
      0.9534370              0.2569110
      0.3246550              0.0276700
      0.1193480             -0.0030170
Zn    P
    558.2510000             -0.0000310
     87.5501000             -0.0004320
     19.6744000              0.0158940
      4.6596900             -0.0818560
      2.1399800             -0.1162980
      0.9534370             -0.0530950
      0.3246550              0.2405910
      0.1193480              0.5573730
Zn    P
    558.2510000              0.0000640
     87.5501000              0.0006900
     19.6744000             -0.0288850
      4.6596900              0.1630810
      2.1399800              0.2030330
      0.9534370              0.0196180
      0.3246550             -0.5551300
      0.1193480             -0.5290840
Zn    P
    558.2510000              0.0002760
     87.5501000              0.0005640
     19.6744000             -0.0761040
      4.6596900              0.6145760
      2.1399800              0.3747180
      0.9534370             -1.0110220
      0.3246550             -0.3827690
      0.1193480              0.8210210
Zn    P
      0.0428360              1.0000000
Zn    D
    162.5730000              0.0025070
     50.8500000              0.0241370
     20.1679000              0.0905710
      8.6009500              0.2170330
      3.7610800              0.3321450
      1.6056100              0.3504780
      0.6490060              0.2562230
Zn    D
    162.5730000              0.0035010
     50.8500000              0.0337260
     20.1679000              0.1308020
      8.6009500              0.3234790
      3.7610800              0.3584120
      1.6056100             -0.1122800
      0.6490060             -0.5354300
Zn    D
    162.5730000              0.0040620
     50.8500000              0.0407070
     20.1679000              0.1610480
      8.6009500              0.4362390
      3.7610800              0.0180170
      1.6056100             -0.7643560
      0.6490060             -0.0206420
Zn    D
      0.2359550              1.0000000
Zn    F
      5.8823000              1.0000000
Zn    F
      1.4950000              1.0000000
Zn    G
      4.0872000              1.0000000
end


ecp "Zn_cc-pvtz-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-pvtz-pp" 
#basis SET: (17s,20p,9d,1f) -> [5s,4p,3d,1f]
Ga    S
  11929.2000000              0.0000640
   1783.7000000              0.0004730
    378.4670000              0.0020550
     29.6623000              0.1202900
     14.2332000             -0.4633920
      2.6873900              0.7443840
      1.1509600              0.4505960
Ga    S
  11929.2000000             -0.0000180
   1783.7000000             -0.0001230
    378.4670000             -0.0006100
     29.6623000             -0.0312640
     14.2332000              0.1268690
      2.6873900             -0.2578570
      1.1509600             -0.2867260
Ga    S
      0.2561640              1.0000000
Ga    S
      0.1228740              1.0000000
Ga    S
      0.0534680              1.0000000
Ga    P
    648.3110000              0.0001170
    103.3240000              0.0021020
     21.0066000             -0.0810440
      5.0341200              0.3714330
      2.2945800              0.5014250
      1.0107800              0.2408060
      0.3265690              0.0184400
      0.1173290             -0.0020560
      0.0412730              0.0007110
Ga    P
    648.3110000             -0.0000250
    103.3240000             -0.0003130
     21.0066000              0.0140670
      5.0341200             -0.0726620
      2.2945800             -0.1030720
      1.0107800             -0.0491760
      0.3265690              0.2253290
      0.1173290              0.5517370
      0.0412730              0.3791640
Ga    P
      0.3095000              1.0000000
Ga    P
      0.0458000              1.0000000
Ga    D
    197.8180000              0.0022080
     61.9417000              0.0220230
     24.7533000              0.0829150
     10.6163000              0.2053990
      4.6883100              0.3278350
      2.0390400              0.3585750
      0.8491240              0.2605990
Ga    D
      0.3205580              1.0000000
Ga    D
      0.1102000              1.0000000
Ga    F
      0.3015000              1.0000000
end


ecp "Ga_cc-pvtz-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-pvtz-pp" 
#basis SET: (17s,20p,9d,1f) -> [5s,4p,3d,1f]
Ge    S
  10120.4000000              0.0001290
   1521.4600000              0.0009230
    334.4110000              0.0035000
     33.6778000              0.1035450
     15.1690000             -0.4384470
      2.9378300              0.7279750
      1.2923400              0.4607490
Ge    S
  10120.4000000             -0.0000420
   1521.4600000             -0.0002770
    334.4110000             -0.0011730
     33.6778000             -0.0299720
     15.1690000              0.1344660
      2.9378300             -0.2874370
      1.2923400             -0.3234750
Ge    S
      0.3304530              1.0000000
Ge    S
      0.1587800              1.0000000
Ge    S
      0.0687730              1.0000000
Ge    P
    587.5220000              0.0001760
     99.9014000              0.0027050
     22.5574000             -0.0820230
      5.5442100              0.3629990
      2.5689000              0.5016570
      1.1574500              0.2450560
      0.3967520              0.0197680
      0.1516670             -0.0020210
      0.0560460              0.0007030
Ge    P
    587.5220000             -0.0000460
     99.9014000             -0.0004890
     22.5574000              0.0172840
      5.5442100             -0.0870500
      2.5689000             -0.1275750
      1.1574500             -0.0595750
      0.3967520              0.2730540
      0.1516670              0.5634800
      0.0560460              0.3184350
Ge    P
      0.4151000              1.0000000
Ge    P
      0.0650000              1.0000000
Ge    D
    229.9860000              0.0019500
     71.1546000              0.0199420
     28.7796000              0.0781500
     12.4128000              0.2001840
      5.5423000              0.3263010
      2.4462000              0.3632720
      1.0420100              0.2598850
Ge    D
      0.4029060              1.0000000
Ge    D
      0.1441000              1.0000000
Ge    F
      0.3544000              1.0000000
end


ecp "Ge_cc-pvtz-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-pvtz-pp" 
#basis SET: (17s,20p,9d,1f) -> [5s,4p,3d,1f]
As    S
   9230.1200000              0.0002450
   1390.3400000              0.0017170
    310.1850000              0.0059890
     38.6242000              0.0904660
     16.2883000             -0.4111950
      3.2090100              0.7044100
      1.4479200              0.4735570
As    S
   9230.1200000             -0.0000870
   1390.3400000             -0.0005800
    310.1850000             -0.0022160
     38.6242000             -0.0285830
     16.2883000              0.1379070
      3.2090100             -0.3095720
      1.4479200             -0.3564480
As    S
      0.4192170              1.0000000
As    S
      0.2010240              1.0000000
As    S
      0.0862360              1.0000000
As    P
    512.5520000              0.0002700
     89.8115000              0.0039760
     23.9471000             -0.0872310
      6.1354500              0.3512290
      2.8909800              0.5037530
      1.3276700              0.2524220
      0.4810440              0.0216960
      0.1902080             -0.0020470
      0.0720080              0.0005820
As    P
    512.5520000             -0.0000780
     89.8115000             -0.0008240
     23.9471000              0.0208320
      6.1354500             -0.0962290
      2.8909800             -0.1468760
      1.3276700             -0.0709030
      0.4810440              0.2985700
      0.1902080              0.5689430
      0.0720080              0.2899240
As    P
      0.5297000              1.0000000
As    P
      0.0855000              1.0000000
As    D
    265.4440000              0.0017810
     81.3734000              0.0185130
     33.3956000              0.0760980
     14.4107000              0.1937100
      6.4703200              0.3245120
      2.8858200              0.3681000
      1.2491900              0.2603440
As    D
      0.4904260              1.0000000
As    D
      0.1798000              1.0000000
As    F
      0.4237000              1.0000000
end


ecp "As_cc-pvtz-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-pvtz-pp" 
#basis SET: (17s,20p,9d,1f) -> [5s,4p,3d,1f]
Se    S
   8991.8000000              0.0004210
   1355.2000000              0.0029330
    303.4980000              0.0098700
     44.3870000              0.0808600
     17.1581000             -0.3914900
      3.5026200              0.6863270
      1.6158300              0.4855820
Se    S
   8991.8000000             -0.0001650
   1355.2000000             -0.0011040
    303.4980000             -0.0040150
     44.3870000             -0.0276280
     17.1581000              0.1415820
      3.5026200             -0.3316090
      1.6158300             -0.3848760
Se    S
      0.5046210              1.0000000
Se    S
      0.2407280              1.0000000
Se    S
      0.1025980              1.0000000
Se    P
    491.8970000              0.0003680
     89.2328000              0.0048720
     25.5069000             -0.0885470
      6.6999200              0.3466370
      3.1877200              0.5068780
      1.4838500              0.2515060
      0.5621350              0.0219950
      0.2210550             -0.0012350
      0.0822520              0.0006100
Se    P
    491.8970000             -0.0001150
     89.2328000             -0.0011020
     25.5069000              0.0230250
      6.6999200             -0.1044220
      3.1877200             -0.1640980
      1.4838500             -0.0724090
      0.5621350              0.3278190
      0.2210550              0.5611980
      0.0822520              0.2784910
Se    P
      0.6364000              1.0000000
Se    P
      0.0978000              1.0000000
Se    D
    301.8680000              0.0016370
     92.1254000              0.0169670
     37.9081000              0.0741760
     16.4171000              0.1894830
      7.4149600              0.3234940
      3.3373800              0.3715420
      1.4643800              0.2597780
Se    D
      0.5825160              1.0000000
Se    D
      0.2162000              1.0000000
Se    F
      0.4696000              1.0000000
end


ecp "Se_cc-pvtz-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-pvtz-pp" 
#basis SET: (17s,20p,9d,1f) -> [5s,4p,3d,1f]
Br    S
   9659.3900000              0.0003710
   1455.9600000              0.0025710
    325.9140000              0.0084850
     46.5657000              0.0782220
     18.2469000             -0.3971490
      3.8020100              0.6858640
      1.7863200              0.4868190
Br    S
   9659.3900000             -0.0001520
   1455.9600000             -0.0010080
    325.9140000             -0.0036090
     46.5657000             -0.0278720
     18.2469000              0.1513170
      3.8020100             -0.3514970
      1.7863200             -0.4107030
Br    S
      0.6027140              1.0000000
Br    S
      0.2840140              1.0000000
Br    S
      0.1202710              1.0000000
Br    P
    492.1870000              0.0004720
     92.3642000              0.0054940
     27.0718000             -0.0880300
      7.2653900              0.3434850
      3.4848100              0.5102080
      1.6404800              0.2486310
      0.6485700              0.0222010
      0.2564070             -0.0004190
      0.0953040              0.0006560
Br    P
    492.1870000             -0.0001580
     92.3642000             -0.0013440
     27.0718000              0.0246160
      7.2653900             -0.1125320
      3.4848100             -0.1797750
      1.6404800             -0.0736610
      0.6485700              0.3487340
      0.2564070              0.5579480
      0.0953040              0.2664560
Br    P
      0.7666000              1.0000000
Br    P
      0.1182000              1.0000000
Br    D
    338.9960000              0.0015240
    103.2170000              0.0156730
     42.3638000              0.0724000
     18.4356000              0.1863030
      8.3725400              0.3238810
      3.8022200              0.3745340
      1.6867700              0.2574180
Br    D
      0.6775200              1.0000000
Br    D
      0.2553000              1.0000000
Br    F
      0.5606000              1.0000000
end


ecp "Br_cc-pvtz-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-pvtz-pp" 
#basis SET: (17s,20p,9d,1f) -> [5s,4p,3d,1f]
Kr    S
   9707.4400000              0.0005970
   1463.5000000              0.0041290
    327.6790000              0.0134570
     52.4256000              0.0750740
     18.8522000             -0.3918980
      4.1692800              0.6673520
      1.9926600              0.5062680
Kr    S
   9707.4400000             -0.0002650
   1463.5000000             -0.0017680
    327.6790000             -0.0062010
     52.4256000             -0.0283990
     18.8522000              0.1568790
      4.1692800             -0.3648090
      1.9926600             -0.4330440
Kr    S
      0.6836950              1.0000000
Kr    S
      0.3243380              1.0000000
Kr    S
      0.1382090              1.0000000
Kr    P
    489.4570000              0.0006030
     93.6395000              0.0064790
     28.5921000             -0.0892740
      7.8986100              0.3394840
      3.8156600              0.5150780
      1.8108300              0.2468760
      0.7417580              0.0218330
      0.2957270             -0.0006140
      0.1104530              0.0002810
Kr    P
    489.4570000             -0.0002110
     93.6395000             -0.0016870
     28.5921000              0.0263440
      7.8986100             -0.1186870
      3.8156600             -0.1935790
      1.8108300             -0.0744460
      0.7417580              0.3647020
      0.2957270              0.5564060
      0.1104530              0.2557360
Kr    P
      0.9094000              1.0000000
Kr    P
      0.1416000              1.0000000
Kr    D
    377.8210000              0.0014340
    114.8970000              0.0146290
     46.9440000              0.0710960
     20.5536000              0.1835580
      9.3713700              0.3229310
      4.2829000              0.3770300
      1.9178400              0.2568870
Kr    D
      0.7763900              1.0000000
Kr    D
      0.2956000              1.0000000
Kr    F
      0.6746000              1.0000000
end


ecp "Kr_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Y    S
    121.5550000              0.0003990
     13.3508000             -0.0373740
      8.3430400              0.2104080
      5.2126200             -0.1742590
      2.8482200             -0.4490590
      0.7360920              0.7515460
      0.3395250              0.5039130
      0.0850000              0.0381900
      0.0457190             -0.0168190
Y    S
    121.5550000             -0.0001380
     13.3508000              0.0126550
      8.3430400             -0.0725770
      5.2126200              0.0689460
      2.8482200              0.1410760
      0.7360920             -0.3097690
      0.3395250             -0.3640910
      0.0850000              0.3089760
      0.0457190              0.6183900
Y    S
    121.5550000             -0.0000250
     13.3508000              0.0025120
      8.3430400             -0.0493070
      5.2126200             -0.0036710
      2.8482200              0.3721140
      0.7360920             -1.0040470
      0.3395250             -0.0462620
      0.0850000              2.7996160
      0.0457190             -1.8967450
Y    S
    121.5550000              0.0003360
     13.3508000             -0.0302260
      8.3430400              0.0575900
      5.2126200             -0.2202050
      2.8482200              0.8124860
      0.7360920             -2.9159010
      0.3395250              2.9601310
      0.0850000              0.3098150
      0.0457190             -3.0151070
Y    S
      0.0217750              1.0000000
Y    P
     15.7057000             -0.0010080
      9.8143400              0.0184510
      3.9515200             -0.1533130
      1.0287300              0.3882870
      0.5203410              0.4715490
      0.2628060              0.2442250
      0.1191270              0.0374550
      0.0532630              0.0009170
Y    P
     15.7057000             -0.0001460
      9.8143400             -0.0045380
      3.9515200              0.0466130
      1.0287300             -0.1376680
      0.5203410             -0.1888270
      0.2628060             -0.1161280
      0.1191270              0.3231850
      0.0532630              0.6065240
Y    P
     15.7057000             -0.0006490
      9.8143400              0.0126010
      3.9515200             -0.1098480
      1.0287300              0.3192010
      0.5203410              0.8044380
      0.2628060             -0.8756500
      0.1191270             -1.0192500
      0.0532630              0.9413270
Y    P
     15.7057000              0.0008090
      9.8143400             -0.0150420
      3.9515200              0.1388090
      1.0287300             -0.6034190
      0.5203410             -0.8228890
      0.2628060              2.6576020
      0.1191270             -1.8092190
      0.0532630             -0.4174460
Y    P
      0.0233840              1.0000000
Y    D
     15.8535000              0.0009920
      5.0818300             -0.0052340
      1.4509500              0.0867890
      0.6892770              0.2297090
      0.3133420              0.3256070
      0.1383830              0.3432860
      0.0595550              0.2503880
Y    D
     15.8535000             -0.0010910
      5.0818300              0.0056570
      1.4509500             -0.1099010
      0.6892770             -0.2902090
      0.3133420             -0.3566240
      0.1383830              0.0229490
      0.0595550              0.5623060
Y    D
     15.8535000              0.0013370
      5.0818300             -0.0069910
      1.4509500              0.1521840
      0.6892770              0.4617290
      0.3133420              0.1555670
      0.1383830             -0.9016730
      0.0595550             -0.0617510
Y    D
      0.0245030              1.0000000
Y    F
      0.4893000              1.0000000
Y    F
      0.1248000              1.0000000
Y    G
      0.2769000              1.0000000
end


ecp "Y_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Zr    S
    136.8260000              0.0004090
     14.5128000             -0.0385170
      9.0698100              0.2158150
      5.6664000             -0.1733400
      3.1131900             -0.4700670
      0.8234820              0.7634610
      0.3811930              0.5037400
      0.0977920              0.0378590
      0.0508390             -0.0153900
Zr    S
    136.8260000             -0.0001420
     14.5128000              0.0131450
      9.0698100             -0.0753410
      5.6664000              0.0699780
      3.1131900              0.1504360
      0.8234820             -0.3253820
      0.3811930             -0.3567120
      0.0977920              0.3070140
      0.0508390              0.6239180
Zr    S
    136.8260000             -0.0000310
     14.5128000              0.0019190
      9.0698100             -0.0509770
      5.6664000             -0.0153840
      3.1131900              0.4351660
      0.8234820             -1.1911120
      0.3811930              0.1292570
      0.0977920              2.6494430
      0.0508390             -1.8700320
Zr    S
    136.8260000              0.0000940
     14.5128000             -0.0109880
      9.0698100             -0.0305380
      5.6664000             -0.0961350
      3.1131900              0.8023080
      0.8234820             -3.2348630
      0.3811930              3.4978270
      0.0977920             -0.7468840
      0.0508390             -1.7815950
Zr    S
      0.0236930              1.0000000
Zr    P
     17.4119000             -0.0011830
     10.8799000              0.0191740
      4.3280400             -0.1600700
      1.1386400              0.4057620
      0.5758550              0.4736200
      0.2886700              0.2319610
      0.1280140              0.0326620
      0.0552900              0.0006340
Zr    P
     17.4119000             -0.0001340
     10.8799000             -0.0046090
      4.3280400              0.0481890
      1.1386400             -0.1454840
      0.5758550             -0.1898740
      0.2886700             -0.0778140
      0.1280140              0.3319510
      0.0552900              0.5837920
Zr    P
     17.4119000             -0.0001070
     10.8799000             -0.0067180
      4.3280400              0.0683650
      1.1386400             -0.2045500
      0.5758550             -0.2797650
      0.2886700             -0.0980140
      0.1280140              0.6499590
      0.0552900              0.4986110
Zr    P
     17.4119000              0.0003190
     10.8799000             -0.0136660
      4.3280400              0.1316590
      1.1386400             -0.4538160
      0.5758550             -0.8019150
      0.2886700              1.2831030
      0.1280140              0.5992920
      0.0552900             -1.0604800
Zr    P
      0.0236130              1.0000000
Zr    D
     18.0732000              0.0011410
      5.2195900             -0.0082810
      1.6998500              0.0933770
      0.8363230              0.2509730
      0.3933540              0.3439070
      0.1788240              0.3298380
      0.0782750              0.2121770
Zr    D
     18.0732000             -0.0012140
      5.2195900              0.0087890
      1.6998500             -0.1164370
      0.8363230             -0.3126190
      0.3933540             -0.3388120
      0.1788240              0.1097870
      0.0782750              0.5744830
Zr    D
     18.0732000              0.0016120
      5.2195900             -0.0118120
      1.6998500              0.1997150
      0.8363230              0.5039140
      0.3933540              0.0093700
      0.1788240             -0.9116610
      0.0782750              0.0859150
Zr    D
      0.0322480              1.0000000
Zr    F
      0.7395000              1.0000000
Zr    F
      0.1931000              1.0000000
Zr    G
      0.4195000              1.0000000
end


ecp "Zr_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Nb    S
    153.0710000              0.0004270
     15.6363000             -0.0398340
      9.7721800              0.2232090
      6.1054400             -0.1760000
      3.3909000             -0.4860610
      0.9116760              0.7744000
      0.4221390              0.5027280
      0.1090790              0.0374030
      0.0556240             -0.0146450
Nb    S
    153.0710000             -0.0001480
     15.6363000              0.0135970
      9.7721800             -0.0781900
      6.1054400              0.0718380
      3.3909000              0.1563340
      0.9116760             -0.3360430
      0.4221390             -0.3472660
      0.1090790              0.3058060
      0.0556240              0.6211110
Nb    S
    153.0710000             -0.0000530
     15.6363000              0.0020220
      9.7721800             -0.0540960
      6.1054400             -0.0218900
      3.3909000              0.4738280
      0.9116760             -1.2925960
      0.4221390              0.2337550
      0.1090790              2.5185120
      0.0556240             -1.7822210
Nb    S
    153.0710000             -0.0001160
     15.6363000              0.0059360
      9.7721800             -0.1098620
      6.1054400              0.0225290
      3.3909000              0.7625580
      0.9116760             -3.3668890
      0.4221390              3.7305380
      0.1090790             -1.2109090
      0.0556240             -1.2127230
Nb    S
      0.0255240              1.0000000
Nb    P
     18.8713000             -0.0013830
     11.7929000              0.0207100
      4.7152900             -0.1677060
      1.2553000              0.4181250
      0.6350230              0.4741640
      0.3175950              0.2237340
      0.1410540              0.0306890
      0.0604940              0.0006280
Nb    P
     18.8713000             -0.0001020
     11.7929000             -0.0050790
      4.7152900              0.0513210
      1.2553000             -0.1541440
      0.6350230             -0.1927810
      0.3175950             -0.0631470
      0.1410540              0.3412080
      0.0604940              0.5757850
Nb    P
     18.8713000             -0.0000540
     11.7929000             -0.0077120
      4.7152900              0.0758660
      1.2553000             -0.2266570
      0.6350230             -0.3034970
      0.3175950             -0.0467380
      0.1410540              0.6780350
      0.0604940              0.4528850
Nb    P
     18.8713000              0.0002690
     11.7929000             -0.0147500
      4.7152900              0.1419370
      1.2553000             -0.5173210
      0.6350230             -0.7179400
      0.3175950              1.3148940
      0.1410540              0.4894290
      0.0604940             -1.0389510
Nb    P
      0.0256300              1.0000000
Nb    D
     20.8985000              0.0012390
      5.6013400             -0.0091370
      1.9380500              0.0974180
      0.9775120              0.2640250
      0.4697960              0.3520390
      0.2179050              0.3189190
      0.0969170              0.1905900
Nb    D
     20.8985000             -0.0013190
      5.6013400              0.0096450
      1.9380500             -0.1237060
      0.9775120             -0.3240320
      0.4697960             -0.3217030
      0.2179050              0.1565040
      0.0969170              0.5624300
Nb    D
     20.8985000              0.0018290
      5.6013400             -0.0134510
      1.9380500              0.2322370
      0.9775120              0.5415760
      0.4697960             -0.1098090
      0.2179050             -0.8826960
      0.0969170              0.1429900
Nb    D
      0.0403560              1.0000000
Nb    F
      0.9895000              1.0000000
Nb    F
      0.2652000              1.0000000
Nb    G
      0.5906000              1.0000000
end


ecp "Nb_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Mo    S
    170.0690000              0.0004530
     16.7338000             -0.0413800
     10.4587000              0.2326990
      6.5343400             -0.1825190
      3.6793500             -0.4983180
      1.0019200              0.7853790
      0.4631400              0.5013700
      0.1187270              0.0358290
      0.0595140             -0.0140370
Mo    S
    170.0690000             -0.0001560
     16.7338000              0.0139920
     10.4587000             -0.0809630
      6.5343400              0.0744540
      3.6793500              0.1588830
      1.0019200             -0.3414150
      0.4631400             -0.3366740
      0.1187270              0.3095560
      0.0595140              0.6149970
Mo    S
    170.0690000             -0.0000750
     16.7338000              0.0015070
     10.4587000             -0.0536740
      6.5343400             -0.0331090
      3.6793500              0.5047010
      1.0019200             -1.3515930
      0.4631400              0.3070100
      0.1187270              2.3973260
      0.0595140             -1.6896850
Mo    S
    170.0690000             -0.0002980
     16.7338000              0.0209690
     10.4587000             -0.1814220
      6.5343400              0.1285330
      3.6793500              0.7288700
      1.0019200             -3.4647110
      0.4631400              3.8855920
      0.1187270             -1.5475660
      0.0595140             -0.7618020
Mo    S
      0.0270390              1.0000000
Mo    P
     20.3080000             -0.0015140
     12.6907000              0.0221680
      5.1195000             -0.1743690
      1.3778300              0.4279430
      0.6968240              0.4753060
      0.3473670              0.2174030
      0.1528190              0.0285240
      0.0650490              0.0004610
Mo    P
     20.3080000             -0.0000830
     12.6907000             -0.0054470
      5.1195000              0.0532030
      1.3778300             -0.1581500
      0.6968240             -0.1918290
      0.3473670             -0.0524490
      0.1528190              0.3447620
      0.0650490              0.5699340
Mo    P
     20.3080000             -0.0000340
     12.6907000             -0.0086930
      5.1195000              0.0831140
      1.3778300             -0.2494680
      0.6968240             -0.3235300
      0.3473670              0.0156020
      0.1528190              0.6864390
      0.0650490              0.4139530
Mo    P
     20.3080000              0.0001020
     12.6907000             -0.0158590
      5.1195000              0.1536300
      1.3778300             -0.5873860
      0.6968240             -0.6442110
      0.3473670              1.3803170
      0.1528190              0.3384870
      0.0650490             -0.9969510
Mo    P
      0.0273390              1.0000000
Mo    D
     22.6032000              0.0013060
      6.3391400             -0.0124380
      2.1776300              0.1035120
      1.1070000              0.2776610
      0.5353720              0.3588570
      0.2489800              0.3092260
      0.1104090              0.1740360
Mo    D
     22.6032000             -0.0013410
      6.3391400              0.0130470
      2.1776300             -0.1256280
      1.1070000             -0.3434410
      0.5353720             -0.2978970
      0.2489800              0.2001940
      0.1104090              0.5671490
Mo    D
     22.6032000              0.0020230
      6.3391400             -0.0206910
      2.1776300              0.2714220
      1.1070000              0.5579390
      0.5353720             -0.2102870
      0.2489800             -0.8724070
      0.1104090              0.2634070
Mo    D
      0.0453770              1.0000000
Mo    F
      1.2203000              1.0000000
Mo    F
      0.3332000              1.0000000
Mo    G
      0.7324000              1.0000000
end


ecp "Mo_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Tc    S
    188.5090000              0.0004850
     17.8080000             -0.0430660
     11.1310000              0.2441460
      6.9548300             -0.1935770
      3.9764000             -0.5059760
      1.0938100              0.7962750
      0.5040080              0.4985920
      0.1272060              0.0341460
      0.0630470             -0.0129910
Tc    S
    188.5090000             -0.0001640
     17.8080000              0.0143460
     11.1310000             -0.0837410
      6.9548300              0.0784280
      3.9764000              0.1569650
      1.0938100             -0.3397950
      0.5040080             -0.3239530
      0.1272060              0.3005360
      0.0630470              0.6094500
Tc    S
    188.5090000             -0.0001130
     17.8080000              0.0021590
     11.1310000             -0.0586310
      6.9548300             -0.0346400
      3.9764000              0.5239370
      1.0938100             -1.3880530
      0.5040080              0.3582630
      0.1272060              2.2951440
      0.0630470             -1.5928100
Tc    S
    188.5090000             -0.0004540
     17.8080000              0.0339630
     11.1310000             -0.2396960
      6.9548300              0.2133340
      3.9764000              0.6897390
      1.0938100             -3.4513310
      0.5040080              3.8753210
      0.1272060             -1.6683870
      0.0630470             -0.5242970
Tc    S
      0.0284080              1.0000000
Tc    P
     21.6444000             -0.0015590
     13.5268000              0.0237090
      5.5426600             -0.1803710
      1.5061100              0.4355170
      0.7616800              0.4764540
      0.3783660              0.2128830
      0.1635880              0.0266430
      0.0689410              0.0001880
Tc    P
     21.6444000             -0.0000960
     13.5268000             -0.0057220
      5.5426600              0.0539440
      1.5061100             -0.1582580
      0.7616800             -0.1873640
      0.3783660             -0.0448460
      0.1635880              0.3427490
      0.0689410              0.5657040
Tc    P
     21.6444000             -0.0000390
     13.5268000             -0.0097340
      5.5426600              0.0897940
      1.5061100             -0.2706050
      0.7616800             -0.3378530
      0.3783660              0.0755710
      0.1635880              0.6858690
      0.0689410              0.3823930
Tc    P
     21.6444000              0.0003340
     13.5268000             -0.0181240
      5.5426600              0.1656770
      1.5061100             -0.6480380
      0.7616800             -0.5825740
      0.3783660              1.4399830
      0.1635880              0.1921730
      0.0689410             -0.9459650
Tc    P
      0.0286740              1.0000000
Tc    D
     25.3828000              0.0013390
      6.9853800             -0.0132810
      2.4121700              0.1080380
      1.2417700              0.2860310
      0.6052420              0.3608340
      0.2828290              0.3011930
      0.1255600              0.1650010
Tc    D
     25.3828000             -0.0013560
      6.9853800              0.0137140
      2.4121700             -0.1234670
      1.2417700             -0.3501630
      0.6052420             -0.2873210
      0.2828290              0.2197000
      0.1255600              0.5668830
Tc    D
     25.3828000              0.0022390
      6.9853800             -0.0238620
      2.4121700              0.3053790
      1.2417700              0.5904270
      0.6052420             -0.3180930
      0.2828290             -0.8455750
      0.1255600              0.3421110
Tc    D
      0.0514850              1.0000000
Tc    F
      1.4494000              1.0000000
Tc    F
      0.4015000              1.0000000
Tc    G
      0.8717000              1.0000000
end


ecp "Tc_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Ru    S
    208.2500000              0.0005230
     18.8471000             -0.0449130
     11.7818000              0.2576260
      7.3619500             -0.2091300
      4.2777100             -0.5106620
      1.1910700              0.8032470
      0.5485680              0.4984140
      0.1386940              0.0337660
      0.0676510             -0.0120940
Ru    S
    208.2500000             -0.0001750
     18.8471000              0.0148030
     11.7818000             -0.0875270
      7.3619500              0.0842820
      4.2777100              0.1549110
      1.1910700             -0.3381410
      0.5485680             -0.3160050
      0.1386940              0.2835260
      0.0676510              0.6092730
Ru    S
    208.2500000             -0.0001820
     18.8471000              0.0052730
     11.7818000             -0.0785570
      7.3619500             -0.0138970
      4.2777100              0.5479870
      1.1910700             -1.4980850
      0.5485680              0.4795000
      0.1386940              2.1402540
      0.0676510             -1.4545610
Ru    S
    208.2500000             -0.0006350
     18.8471000              0.0517470
     11.7818000             -0.3171890
      7.3619500              0.3298480
      4.2777100              0.6270530
      1.1910700             -3.4222090
      0.5485680              3.8479480
      0.1386940             -1.6239260
      0.0676510             -0.6032230
Ru    S
      0.0301410              1.0000000
Ru    P
     22.7753000             -0.0015440
     14.2340000              0.0257710
      5.9875500             -0.1865980
      1.6392400              0.4427740
      0.8278800              0.4781510
      0.4090100              0.2083690
      0.1718770              0.0246350
      0.0712710             -0.0002190
Ru    P
     22.7753000             -0.0001480
     14.2340000             -0.0091740
      5.9875500              0.0813740
      1.6392400             -0.2361250
      0.8278800             -0.2943330
      0.4090100              0.0150980
      0.1718770              0.6560890
      0.0712710              0.4389440
Ru    P
     22.7753000             -0.0000630
     14.2340000             -0.0114610
      5.9875500              0.0999930
      1.6392400             -0.3036410
      0.8278800             -0.3638860
      0.4090100              0.1659350
      0.1718770              0.7005450
      0.0712710              0.3189430
Ru    P
     22.7753000              0.0011030
     14.2340000             -0.0225190
      5.9875500              0.1821610
      1.6392400             -0.7313300
      0.8278800             -0.4901170
      0.4090100              1.5235390
      0.1718770             -0.0391820
      0.0712710             -0.8661830
Ru    P
      0.0292260              1.0000000
Ru    D
     25.8838000              0.0015230
      7.5925500             -0.0181620
      2.7129300              0.1096910
      1.3970800              0.2915970
      0.6825650              0.3620440
      0.3193780              0.2975140
      0.1417810              0.1610370
Ru    D
     25.8838000             -0.0015510
      7.5925500              0.0190350
      2.7129300             -0.1257740
      1.3970800             -0.3632850
      0.6825650             -0.2793510
      0.3193780              0.2457120
      0.1417810              0.5472610
Ru    D
     25.8838000              0.0026560
      7.5925500             -0.0337600
      2.7129300              0.2929230
      1.3970800              0.6173710
      0.6825650             -0.3625300
      0.3193780             -0.8031580
      0.1417810              0.3154610
Ru    D
      0.0580170              1.0000000
Ru    F
      1.6965000              1.0000000
Ru    F
      0.4754000              1.0000000
Ru    G
      1.0311000              1.0000000
end


ecp "Ru_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Rh    S
    228.9320000              0.0005680
     19.9087000             -0.0468030
     12.4468000              0.2723670
      7.7782100             -0.2301680
      4.5800600             -0.5095540
      1.2906800              0.8098500
      0.5934140              0.4978760
      0.1491580              0.0331540
      0.0719530             -0.0115130
Rh    S
    228.9320000             -0.0001860
     19.9087000              0.0151800
     12.4468000             -0.0911300
      7.7782100              0.0911990
      4.5800600              0.1503790
      1.2906800             -0.3344630
      0.5934140             -0.3074430
      0.1491580              0.2695540
      0.0719530              0.6048640
Rh    S
    228.9320000             -0.0002440
     19.9087000              0.0079290
     12.4468000             -0.0938930
      7.7782100              0.0079360
      4.5800600              0.5418830
      1.2906800             -1.4974880
      0.5934140              0.4948550
      0.1491580              1.9905270
      0.0719530             -1.2260370
Rh    S
    228.9320000             -0.0007250
     19.9087000              0.0599300
     12.4468000             -0.3549510
      7.7782100              0.3902970
      4.5800600              0.5857430
      1.2906800             -3.3028560
      0.5934140              3.6257170
      0.1491580             -1.2367490
      0.0719530             -1.0070470
Rh    S
      0.0317520              1.0000000
Rh    P
     24.2117000             -0.0015790
     15.1331000              0.0271980
      6.4472000             -0.1914630
      1.7777600              0.4476580
      0.8990200              0.4777240
      0.4445220              0.2058190
      0.1886740              0.0243520
      0.0785140             -0.0000580
Rh    P
     24.2117000             -0.0001320
     15.1331000             -0.0065320
      6.4472000              0.0564450
      1.7777600             -0.1610630
      0.8990200             -0.1842580
      0.4445220             -0.0336100
      0.1886740              0.3445440
      0.0785140              0.5595730
Rh    P
     24.2117000              0.0001470
     15.1331000             -0.0133530
      6.4472000              0.1094800
      1.7777600             -0.3362590
      0.8990200             -0.3686360
      0.4445220              0.2138540
      0.1886740              0.6803790
      0.0785140              0.3077610
Rh    P
     24.2117000              0.0023040
     15.1331000             -0.0272970
      6.4472000              0.1976470
      1.7777600             -0.8063470
      0.8990200             -0.3874520
      0.4445220              1.5168270
      0.1886740             -0.1135820
      0.0785140             -0.8286130
Rh    P
      0.0321950              1.0000000
Rh    D
     29.4998000              0.0016770
      7.4043700             -0.0184390
      3.0595900              0.1050760
      1.5820500              0.2937700
      0.7748340              0.3641780
      0.3630560              0.2972650
      0.1610470              0.1599580
Rh    D
     29.4998000             -0.0017860
      7.4043700              0.0201300
      3.0595900             -0.1279690
      1.5820500             -0.3807800
      0.7748340             -0.2708410
      0.3630560              0.2651630
      0.1610470              0.5378200
Rh    D
     29.4998000              0.0030290
      7.4043700             -0.0362820
      3.0595900              0.2815510
      1.5820500              0.6384210
      0.7748340             -0.3871850
      0.3630560             -0.7962390
      0.1610470              0.3375180
Rh    D
      0.0656200              1.0000000
Rh    F
      1.9606000              1.0000000
Rh    F
      0.5553000              1.0000000
Rh    G
      1.1907000              1.0000000
end


ecp "Rh_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Pd    S
    247.2020000              0.0006240
     20.7937000             -0.0501980
     13.0019000              0.2962420
      8.1256200             -0.2640150
      4.8884200             -0.5037150
      1.3920600              0.8177430
      0.6383820              0.4964090
      0.1588280              0.0323180
      0.0757930             -0.0110230
Pd    S
    247.2020000             -0.0002000
     20.7937000              0.0158670
     13.0019000             -0.0968700
      8.1256200              0.1017160
      4.8884200              0.1434910
      1.3920600             -0.3291740
      0.6383820             -0.2996310
      0.1588280              0.2591500
      0.0757930              0.5993290
Pd    S
    247.2020000             -0.0002890
     20.7937000              0.0100490
     13.0019000             -0.1055420
      8.1256200              0.0255180
      4.8884200              0.5196830
      1.3920600             -1.4174220
      0.6383820              0.4318030
      0.1588280              1.8563460
      0.0757930             -0.9626340
Pd    S
    247.2020000             -0.0008060
     20.7937000              0.0673350
     13.0019000             -0.3972070
      8.1256200              0.4583510
      4.8884200              0.5570950
      1.3920600             -3.2352070
      0.6383820              3.4344500
      0.1588280             -0.8478430
      0.0757930             -1.3772410
Pd    S
      0.0331840              1.0000000
Pd    P
     24.8824000             -0.0017220
     15.5517000              0.0315340
      6.9234300             -0.2010620
      1.9228600              0.4525720
      0.9711910              0.4799470
      0.4769190              0.2040450
      0.1938660              0.0225170
      0.0787920             -0.0006140
Pd    P
     24.8824000             -0.0002120
     15.5517000             -0.0068010
      6.9234300              0.0539880
      1.9228600             -0.1486710
      0.9711910             -0.1667440
      0.4769190             -0.0347260
      0.1938660              0.3263210
      0.0787920              0.5599760
Pd    P
     24.8824000              0.0002580
     15.5517000             -0.0165210
      6.9234300              0.1208050
      1.9228600             -0.3642750
      0.9711910             -0.3807400
      0.4769190              0.2890590
      0.1938660              0.6824540
      0.0787920              0.2585140
Pd    P
     24.8824000              0.0034320
     15.5517000             -0.0345360
      6.9234300              0.2162500
      1.9228600             -0.8692850
      0.9711910             -0.2962990
      0.4769190              1.5226960
      0.1938660             -0.2638220
      0.0787920             -0.7598920
Pd    P
      0.0316530              1.0000000
Pd    D
     29.0204000              0.0021720
      6.4114900             -0.0479580
      3.9973600              0.1033430
      1.8874200              0.2932100
      0.9132080              0.3716870
      0.4256750              0.3064560
      0.1877270              0.1666290
Pd    D
     29.0204000             -0.0023520
      6.4114900              0.0544140
      3.9973600             -0.1263090
      1.8874200             -0.3977950
      0.9132080             -0.2964330
      0.4256750              0.2617170
      0.1877270              0.5376890
Pd    D
     29.0204000              0.0037610
      6.4114900             -0.0967630
      3.9973600              0.2519190
      1.8874200              0.7039300
      0.9132080             -0.3283750
      0.4256750             -0.8381000
      0.1877270              0.3242530
Pd    D
      0.0757900              1.0000000
Pd    F
      2.2329000              1.0000000
Pd    F
      0.6384000              1.0000000
Pd    G
      1.3721000              1.0000000
end


ecp "Pd_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Ag    S
    222.6450000              0.0007000
     20.1725000             -0.0798090
     12.7197000              0.4589790
      8.0021100             -0.5218260
      5.0205300             -0.4075440
      1.5208500              0.8414580
      0.6949200              0.4956480
      0.1729330              0.0276600
      0.0818970             -0.0086430
Ag    S
    222.6450000             -0.0002080
     20.1725000              0.0228050
     12.7197000             -0.1373250
      8.0021100              0.1730850
      5.0205300              0.1057550
      1.5208500             -0.3140630
      0.6949200             -0.2985340
      0.1729330              0.2313240
      0.0818970              0.5969110
Ag    S
    222.6450000             -0.0002500
     20.1725000              0.0210250
     12.7197000             -0.1682510
      8.0021100              0.1442000
      5.0205300              0.4139110
      1.5208500             -1.1739400
      0.6949200              0.1871810
      0.1729330              1.7116850
      0.0818970             -0.5350550
Ag    S
    222.6450000             -0.0007140
     20.1725000              0.0726550
     12.7197000             -0.4696600
      8.0021100              0.5845510
      5.0205300              0.5663560
      1.5208500             -3.2222430
      0.6949200              3.1502630
      0.1729330             -0.1517250
      0.0818970             -1.9921310
Ag    S
      0.0351900              1.0000000
Ag    P
     22.0490000             -0.0058860
     13.8356000              0.0763570
      7.6299400             -0.2661720
      2.1037200              0.4622010
      1.0626200              0.4894950
      0.5193830              0.2000890
      0.2051990              0.0193450
      0.0829790             -0.0007170
Ag    P
     22.0490000              0.0005940
     13.8356000             -0.0170800
      7.6299400              0.0679410
      2.1037200             -0.1427200
      1.0626200             -0.1683930
      0.5193830             -0.0329600
      0.2051990              0.3267400
      0.0829790              0.5580540
Ag    P
     22.0490000              0.0022350
     13.8356000             -0.0383630
      7.6299400              0.1454190
      2.1037200             -0.3278470
      1.0626200             -0.3817440
      0.5193830              0.2524550
      0.2051990              0.6915130
      0.0829790              0.2763110
Ag    P
     22.0490000              0.0087290
     13.8356000             -0.0828090
      7.6299400              0.2865900
      2.1037200             -0.8760860
      1.0626200             -0.3443670
      0.5193830              1.5334530
      0.2051990             -0.2330540
      0.0829790             -0.7471730
Ag    P
      0.0331440              1.0000000
Ag    D
     73.2665000              0.0004510
     18.7729000              0.0059840
     10.9237000             -0.0189680
      3.0019700              0.1923860
      1.4717700              0.3721720
      0.6847640              0.3721880
      0.3003970              0.2300660
Ag    D
     73.2665000             -0.0006060
     18.7729000             -0.0075860
     10.9237000              0.0246380
      3.0019700             -0.3135690
      1.4717700             -0.5000300
      0.6847640              0.1211390
      0.3003970              0.5946850
Ag    D
     73.2665000              0.0004890
     18.7729000              0.0155170
     10.9237000             -0.0470560
      3.0019700              0.6569190
      1.4717700              0.2238260
      0.6847640             -1.1068170
      0.3003970              0.1657200
Ag    D
      0.1201550              1.0000000
Ag    F
      2.5431000              1.0000000
Ag    F
      0.7381000              1.0000000
Ag    G
      1.5751000              1.0000000
end


ecp "Ag_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Cd    S
    257.4970000              0.0007680
     21.3546000             -0.0781940
     13.4806000              0.4609280
      8.4865100             -0.5362100
      5.3255100             -0.4008230
      1.6268600              0.8553620
      0.7404690              0.4898680
      0.1809330              0.0220290
      0.0850960             -0.0083600
Cd    S
    257.4970000             -0.0002310
     21.3546000              0.0222790
     13.4806000             -0.1382050
      8.4865100              0.1777840
      5.3255100              0.1056950
      1.6268600             -0.3259540
      0.7404690             -0.2993250
      0.1809330              0.2821000
      0.0850960              0.6020440
Cd    S
    257.4970000              0.0004270
     21.3546000             -0.0241760
     13.4806000              0.2190290
      8.4865100             -0.1984150
      5.3255100             -0.5647670
      1.6268600              1.8215160
      0.7404690             -0.8098690
      0.1809330             -1.9098510
      0.0850960              1.4360880
Cd    S
    257.4970000              0.0014390
     21.3546000             -0.1719290
     13.4806000              0.9499110
      8.4865100             -1.5172470
      5.3255100              0.1055120
      1.6268600              3.3939830
      0.7404690             -4.0474090
      0.1809330              2.4869710
      0.0850960             -0.5824690
Cd    S
      0.0363840              1.0000000
Cd    P
    243.1650000              0.0001130
     13.9588000              0.0696720
      8.3100100             -0.2536750
      2.2020000              0.4824920
      1.1007200              0.4845500
      0.5359750              0.1796400
      0.2136540              0.0152290
      0.0854690             -0.0001880
Cd    P
    243.1650000             -0.0000370
     13.9588000             -0.0165070
      8.3100100              0.0636620
      2.2020000             -0.1465210
      1.1007200             -0.1561870
      0.5359750             -0.0273550
      0.2136540              0.3226010
      0.0854690              0.5566980
Cd    P
    243.1650000             -0.0000610
     13.9588000             -0.0330520
      8.3100100              0.1255300
      2.2020000             -0.3052730
      1.1007200             -0.3223690
      0.5359750              0.1819080
      0.2136540              0.6863790
      0.0854690              0.3216860
Cd    P
    243.1650000             -0.0000860
     13.9588000             -0.0719040
      8.3100100              0.2712270
      2.2020000             -0.9039590
      1.1007200             -0.2760210
      0.5359750              1.4946140
      0.2136540             -0.2070140
      0.0854690             -0.7304040
Cd    P
      0.0338230              1.0000000
Cd    D
     86.0666000              0.0004430
     22.6386000              0.0050060
     12.1384000             -0.0160770
      3.4408100              0.1771520
      1.7176100              0.3666560
      0.8148490              0.3772260
      0.3660070              0.2339200
Cd    D
     86.0666000              0.0006330
     22.6386000              0.0073050
     12.1384000             -0.0238720
      3.4408100              0.3340440
      1.7176100              0.5448850
      0.8148490             -0.1745820
      0.3660070             -0.6047310
Cd    D
     86.0666000             -0.0003260
     22.6386000             -0.0146770
     12.1384000              0.0459900
      3.4408100             -0.6525580
      1.7176100             -0.2130730
      0.8148490              1.1468110
      0.3660070             -0.2158710
Cd    D
      0.1502820              1.0000000
Cd    F
      2.9086000              1.0000000
Cd    F
      0.8508000              1.0000000
Cd    G
      1.8019000              1.0000000
end


ecp "Cd_cc-pvtz-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-pvtz-pp" 
#basis SET: (21s,20p,9d,1f) -> [5s,4p,3d,1f]
In    S
   2378.0400000              0.0000920
    360.9980000              0.0004790
     45.6335000              0.0125760
     28.5149000             -0.0884220
     17.8220000              0.2522560
      6.6299000             -0.7190570
      1.7095400              0.8596060
      0.7984450              0.4740660
      0.0435410              0.0017710
In    S
   2378.0400000              0.0000280
    360.9980000              0.0001990
     45.6335000              0.0018350
     28.5149000             -0.0201770
     17.8220000              0.0720460
      6.6299000             -0.2449900
      1.7095400              0.3932400
      0.7984450              0.3284130
      0.0435410             -0.2018870
In    S
      0.2047370              1.0000000
In    S
      0.0966770              1.0000000
In    S
      0.0518000              1.0000000
In    P
    266.9020000              0.0001080
     14.7312000              0.0736840
      8.8277900             -0.2642980
      2.3595300              0.4947510
      1.1759100              0.4936840
      0.5675680              0.1638510
      0.2129400              0.0100830
      0.0828070             -0.0002200
      0.0320770              0.0001980
In    P
    266.9020000             -0.0000320
     14.7312000             -0.0152100
      8.8277900              0.0579220
      2.3595300             -0.1300470
      1.1759100             -0.1371410
      0.5675680             -0.0287310
      0.2129400              0.3016610
      0.0828070              0.5566390
      0.0320770              0.2912400
In    P
      0.2640000              1.0000000
In    P
      0.0416000              1.0000000
In    D
    117.2790000              0.0002810
     32.6865000              0.0024780
     13.1906000             -0.0124390
      4.0182100              0.1400700
      2.1494800              0.3303050
      1.0912600              0.3753580
      0.5319410              0.2582690
In    D
      0.2436870              1.0000000
In    D
      0.0907000              1.0000000
In    F
      0.2549000              1.0000000
end


ecp "In_cc-pvtz-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-pvtz-pp" 
#basis SET: (21s,20p,9d,1f) -> [5s,4p,3d,1f]
Sn    S
   3672.4000000              0.0001170
    558.1430000              0.0006870
    114.0890000              0.0021300
     31.4006000             -0.0376690
     19.6318000              0.1591490
      6.7720500             -0.6517540
      1.8335100              0.8376920
      0.8777150              0.4884260
      0.0517570              0.0018720
Sn    S
   3672.4000000              0.0000430
    558.1430000              0.0003070
    114.0890000              0.0004960
     31.4006000             -0.0091050
     19.6318000              0.0498980
      6.7720500             -0.2498540
      1.8335100              0.4440970
      0.8777150              0.3520250
      0.0517570             -0.1655790
Sn    S
      0.2373960              1.0000000
Sn    S
      0.1120680              1.0000000
Sn    S
      0.0638000              1.0000000
Sn    P
    216.9700000              0.0002260
     20.9102000              0.0229170
      8.7961100             -0.1971460
      2.5673700              0.4679170
      1.3145100              0.4960430
      0.6535910              0.1766100
      0.2721500              0.0128500
      0.1107360              0.0001190
      0.0440340              0.0001730
Sn    P
    216.9700000             -0.0000810
     20.9102000             -0.0054570
      8.7961100              0.0530050
      2.5673700             -0.1546650
      1.3145100             -0.1589400
      0.6535910             -0.0497030
      0.2721500              0.3271270
      0.1107360              0.5670890
      0.0440340              0.2642970
Sn    P
      0.3451000              1.0000000
Sn    P
      0.0568000              1.0000000
Sn    D
    130.2430000              0.0003190
     36.7762000              0.0026780
     14.6321000             -0.0101090
      4.6969500              0.1197680
      2.5307800              0.3226000
      1.3017400              0.3842380
      0.6465750              0.2653580
Sn    D
      0.3023160              1.0000000
Sn    D
      0.1160000              1.0000000
Sn    F
      0.2822000              1.0000000
end


ecp "Sn_cc-pvtz-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-pvtz-pp" 
#basis SET: (21s,20p,9d,1f) -> [5s,4p,3d,1f]
Sb    S
   3928.3300000              0.0001540
    593.8890000              0.0009310
    120.1850000              0.0028210
     29.5140000             -0.0553190
     18.4422000              0.2433120
      7.4757100             -0.7383240
      1.9513600              0.8663100
      0.9522580              0.4713110
      0.0626280              0.0013620
Sb    S
   3928.3300000              0.0000620
    593.8890000              0.0004280
    120.1850000              0.0008770
     29.5140000             -0.0157130
     18.4422000              0.0830030
      7.4757100             -0.2954330
      1.9513600              0.4816030
      0.9522580              0.3837680
      0.0626280             -0.1674290
Sb    S
      0.2879680              1.0000000
Sb    S
      0.1363960              1.0000000
Sb    S
      0.0764000              1.0000000
Sb    P
    210.4710000              0.0002640
     16.1414000              0.0799050
      9.8253000             -0.2769490
      2.7526700              0.4836600
      1.4214800              0.5006970
      0.7162460              0.1665980
      0.3202050              0.0119690
      0.1350880              0.0002790
      0.0551300             -0.0000050
Sb    P
    210.4710000             -0.0001020
     16.1414000             -0.0217610
      9.8253000              0.0806610
      2.7526700             -0.1746280
      1.4214800             -0.1841540
      0.7162460             -0.0534720
      0.3202050              0.3583120
      0.1350880              0.5683580
      0.0551300              0.2383430
Sb    P
      0.4332000              1.0000000
Sb    P
      0.0737200              1.0000000
Sb    D
    135.7750000              0.0003830
     38.7746000              0.0030350
     13.4922000             -0.0114660
      5.0832700              0.1159020
      2.7895800              0.3212690
      1.4615900              0.3870740
      0.7408450              0.2624240
Sb    D
      0.3531300              1.0000000
Sb    D
      0.1393000              1.0000000
Sb    F
      0.3244000              1.0000000
end


ecp "Sb_cc-pvtz-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-pvtz-pp" 
#basis SET: (21s,20p,9d,1f) -> [5s,4p,3d,1f]
Te    S
   5324.9800000              0.0002030
    803.6740000              0.0013120
    175.1460000              0.0038220
     29.6182000             -0.0452470
     18.5344000              0.2468860
      7.9615000             -0.7501600
      2.0653900              0.8794950
      1.0245700              0.4581140
      0.0720190              0.0010900
Te    S
   5324.9800000             -0.0000930
    803.6740000             -0.0006440
    175.1460000             -0.0016200
     29.6182000              0.0122950
     18.5344000             -0.0883860
      7.9615000              0.3181100
      2.0653900             -0.5307770
      1.0245700             -0.3968780
      0.0720190              0.1561030
Te    S
      0.3338430              1.0000000
Te    S
      0.1578110              1.0000000
Te    S
      0.0884000              1.0000000
Te    P
    193.7750000              0.0004000
     17.5508000              0.0686080
     10.1951000             -0.2665700
      2.9737700              0.4735330
      1.5564700              0.5102310
      0.7875460              0.1675130
      0.3684730              0.0117410
      0.1542730              0.0011710
      0.0619050              0.0000750
Te    P
    193.7750000             -0.0001670
     17.5508000             -0.0200760
     10.1951000              0.0844810
      2.9737700             -0.1888350
      1.5564700             -0.2053640
      0.7875460             -0.0507390
      0.3684730              0.3853020
      0.1542730              0.5591880
      0.0619050              0.2313120
Te    P
      0.5043000              1.0000000
Te    P
      0.0815000              1.0000000
Te    D
    142.6170000              0.0004610
     41.0605000              0.0035350
     13.0622000             -0.0118350
      5.7251500              0.1059670
      3.1338100              0.3189520
      1.6568200              0.3923070
      0.8515750              0.2640890
Te    D
      0.4121280              1.0000000
Te    D
      0.1651000              1.0000000
Te    F
      0.3494000              1.0000000
end


ecp "Te_cc-pvtz-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-pvtz-pp" 
#basis SET: (21s,20p,9d,1f) -> [5s,4p,3d,1f]
I    S
      5.546500E+03           1.560000E-04
      8.382140E+02           9.860000E-04
      1.821870E+02           2.792000E-03
      3.121230E+01          -4.325100E-02
      1.953140E+01           2.341340E-01
      8.240990E+00          -7.509430E-01
      2.194550E+00           8.829680E-01
      1.109110E+00           4.620610E-01
      8.106100E-02           1.102000E-03
I    S
      5.546500E+03          -7.300000E-05
      8.382140E+02          -5.080000E-04
      1.821870E+02          -1.158000E-03
      3.121230E+01           1.219300E-02
      1.953140E+01          -8.785400E-02
      8.240990E+00           3.382000E-01
      2.194550E+00          -5.765500E-01
      1.109110E+00          -4.092980E-01
      8.106100E-02           1.432310E-01
I    S
      3.746410E-01           1.000000E+00
I    S
      1.770800E-01           1.000000E+00
I    S
      1.001000E-01           1.000000E+00
I    P
      1.889880E+02           5.850000E-04
      2.128680E+01           3.692300E-02
      1.003960E+01          -2.353240E-01
      3.451800E+00           3.414830E-01
      1.974560E+00           5.347880E-01
      1.024200E+00           2.651410E-01
      4.494370E-01           2.578700E-02
      1.866480E-01           5.220000E-04
      7.348100E-02           6.060000E-04
I    P
      1.889880E+02          -2.560000E-04
      2.128680E+01          -1.168200E-02
      1.003960E+01           8.319200E-02
      3.451800E+00          -1.569700E-01
      1.974560E+00          -2.245180E-01
      1.024200E+00          -1.144510E-01
      4.494370E-01           3.753560E-01
      1.866480E-01           5.751360E-01
      7.348100E-02           2.459170E-01
I    P
      5.981000E-01           1.000000E+00
I    P
      9.618000E-02           1.000000E+00
I    D
      1.326620E+02           5.720000E-04
      3.760540E+01           4.402000E-03
      1.038910E+01          -4.092200E-02
      6.490170E+00           9.966100E-02
      3.454510E+00           3.226630E-01
      1.844130E+00           4.003430E-01
      9.624780E-01           2.683060E-01
I    D
      4.728530E-01           1.000000E+00
I    D
      1.932000E-01           1.000000E+00
I    F
      4.064000E-01           1.000000E+00
end


ecp "I_cc-pvtz-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-pvtz-pp" 
#basis SET: (21s,20p,9d,1f) -> [5s,4p,3d,1f]
Xe    S
   6456.4000000              0.0002500
    974.0610000              0.0016300
    214.4290000              0.0047330
     31.3308000             -0.0336990
     19.6130000              0.2439310
      8.8860900             -0.7646530
      2.3250800              0.9007940
      1.1842200              0.4415130
      0.0921780              0.0008510
Xe    S
   6456.4000000             -0.0001300
    974.0610000             -0.0008850
    214.4290000             -0.0023580
     31.3308000              0.0072910
     19.6130000             -0.0926390
      8.8860900              0.3537950
      2.3250800             -0.6158300
      1.1842200             -0.4130600
      0.0921780              0.1423370
Xe    S
      0.4268540              1.0000000
Xe    S
      0.2016450              1.0000000
Xe    S
      0.1143000              1.0000000
Xe    P
    191.1700000              0.0007650
     22.5178000              0.0369520
     10.0604000             -0.2806880
      5.5576200              0.1427170
      2.6962500              0.6356540
      1.3076400              0.3932570
      0.5306750              0.0410560
      0.2224610             -0.0022510
      0.0868810              0.0007740
Xe    P
    191.1700000             -0.0003290
     22.5178000             -0.0127810
     10.0604000              0.1082740
      5.5576200             -0.0720510
      2.6962500             -0.2845800
      1.3076400             -0.1852050
      0.5306750              0.3583360
      0.2224610              0.5883940
      0.0868810              0.2572450
Xe    P
      0.6953000              1.0000000
Xe    P
      0.1135000              1.0000000
Xe    D
    142.9710000              0.0007360
     41.3057000              0.0053720
     10.9222000             -0.0288270
      6.8240800              0.1199100
      3.6669600              0.3324640
      1.9828900              0.3892090
      1.0539900              0.2483590
Xe    D
      0.5299030              1.0000000
Xe    D
      0.2192000              1.0000000
Xe    F
      0.4779000              1.0000000
end


ecp "Xe_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Hf    S
     26.5042000              0.0320170
     16.5840000             -0.2583380
     10.3831000              0.7419580
      6.4955000             -0.5972460
      3.4643100             -0.4674330
      0.9862000              0.7814380
      0.4578280              0.5337560
      0.1321180              0.0363800
      0.0669670             -0.0136480
Hf    S
     26.5042000             -0.0092200
     16.5840000              0.0766750
     10.3831000             -0.2256410
      6.4955000              0.1855680
      3.4643100              0.1565490
      0.9862000             -0.3114170
      0.4578280             -0.3945230
      0.1321180              0.2034830
      0.0669670              0.6862960
Hf    S
     26.5042000             -0.0051870
     16.5840000              0.0780690
     10.3831000             -0.2633410
      6.4955000              0.1631730
      3.4643100              0.4121450
      0.9862000             -0.9279190
      0.4578280             -0.3552850
      0.1321180              2.5901110
      0.0669670             -1.2877130
Hf    S
     26.5042000              0.0266200
     16.5840000             -0.0510920
     10.3831000             -0.0133860
      6.4955000             -0.2493960
      3.4643100              1.1377230
      0.9862000             -3.2919740
      0.4578280              3.0952960
      0.1321180              0.5233810
      0.0669670             -2.9817690
Hf    S
      0.0290100              1.0000000
Hf    P
     15.2724000             -0.0249160
      9.5703500              0.1349670
      5.0361800             -0.3145280
      1.1521500              0.4766040
      0.5624010              0.4841910
      0.2742040              0.1844940
      0.1205050              0.0186390
      0.0528120              0.0015040
Hf    P
     15.2724000              0.0066140
      9.5703500             -0.0369260
      5.0361800              0.0887770
      1.1521500             -0.1514170
      0.5624010             -0.2041520
      0.2742040             -0.0401350
      0.1205050              0.3663260
      0.0528120              0.5626960
Hf    P
     15.2724000              0.0094170
      9.5703500             -0.0530870
      5.0361800              0.1282870
      1.1521500             -0.2170080
      0.5624010             -0.3251220
      0.2742040             -0.0046510
      0.1205050              0.7343430
      0.0528120              0.3849980
Hf    P
     15.2724000              0.0190460
      9.5703500             -0.1039530
      5.0361800              0.2510270
      1.1521500             -0.5289630
      0.5624010             -0.8006570
      0.2742040              1.6510980
      0.1205050              0.1195080
      0.0528120             -0.9590230
Hf    P
      0.0228910              1.0000000
Hf    D
     11.9756000             -0.0014780
      7.4799800              0.0187080
      4.6738300             -0.0580870
      1.1750300              0.1823340
      0.5283500              0.3486640
      0.2277570              0.3933500
      0.0941690              0.2772230
Hf    D
     11.9756000              0.0012390
      7.4799800             -0.0202160
      4.6738300              0.0669450
      1.1750300             -0.2392560
      0.5283500             -0.4736770
      0.2277570             -0.0843030
      0.0941690              0.6333300
Hf    D
     11.9756000             -0.0031330
      7.4799800              0.0334770
      4.6738300             -0.1038090
      1.1750300              0.4716820
      0.5283500              0.5191890
      0.2277570             -1.0917460
      0.0941690              0.0084120
Hf    D
      0.0366310              1.0000000
Hf    F
      0.5521000              1.0000000
Hf    F
      0.1605000              1.0000000
Hf    G
      0.3579000              1.0000000
end


ecp "Hf_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Ta    S
     27.1236000              0.0310530
     16.9695000             -0.2562460
     10.6228000              0.7537040
      6.6449300             -0.6221810
      3.5948000             -0.4709360
      1.0504400              0.7957440
      0.4928350              0.5320760
      0.1487360              0.0359520
      0.0722280             -0.0130440
Ta    S
     27.1236000             -0.0090380
     16.9695000              0.0776200
     10.6228000             -0.2351160
      6.6449300              0.1985680
      3.5948000              0.1643530
      1.0504400             -0.3367730
      0.4928350             -0.3948460
      0.1487360              0.2230040
      0.0722280              0.6886390
Ta    S
     27.1236000             -0.0036940
     16.9695000              0.0741990
     10.6228000             -0.2667320
      6.6449300              0.1638740
      3.5948000              0.4542910
      1.0504400             -1.0387690
      0.4928350             -0.2840230
      0.1487360              2.4631730
      0.0722280             -1.1724650
Ta    S
     27.1236000              0.0199390
     16.9695000             -0.0119830
     10.6228000             -0.1263190
      6.6449300             -0.1072520
      3.5948000              1.0858150
      1.0504400             -3.3698120
      0.4928350              3.2164070
      0.1487360              0.3284360
      0.0722280             -2.7861580
Ta    S
      0.0309970              1.0000000
Ta    P
     15.5273000             -0.0247840
      9.7259300              0.1412710
      5.2380300             -0.3273280
      1.2270200              0.4834390
      0.6053810              0.4839520
      0.2963140              0.1812620
      0.1305110              0.0183560
      0.0571160              0.0014010
Ta    P
     15.5273000              0.0068180
      9.7259300             -0.0402940
      5.2380300              0.0966590
      1.2270200             -0.1633710
      0.6053810             -0.2142180
      0.2963140             -0.0232540
      0.1305110              0.3814550
      0.0571160              0.5524390
Ta    P
     15.5273000              0.0100470
      9.7259300             -0.0601510
      5.2380300              0.1452770
      1.2270200             -0.2448290
      0.6053810             -0.3637170
      0.2963140              0.0650640
      0.1305110              0.7639420
      0.0571160              0.3237320
Ta    P
     15.5273000              0.0206680
      9.7259300             -0.1177830
      5.2380300              0.2832870
      1.2270200             -0.6451770
      0.6053810             -0.6698480
      0.2963140              1.6952860
      0.1305110             -0.0513130
      0.0571160             -0.8985720
Ta    P
      0.0246790              1.0000000
Ta    D
     12.1917000             -0.0017560
      7.6161300              0.0229090
      4.7595400             -0.0715900
      1.2759000              0.1997750
      0.5929460              0.3628730
      0.2642870              0.3846300
      0.1124950              0.2504110
Ta    D
     12.1917000              0.0014680
      7.6161300             -0.0248100
      4.7595400              0.0829610
      1.2759000             -0.2725710
      0.5929460             -0.4890720
      0.2642870             -0.0016350
      0.1124950              0.6453820
Ta    D
     12.1917000             -0.0034800
      7.6161300              0.0408190
      4.7595400             -0.1314870
      1.2759000              0.5878110
      0.5929460              0.4024980
      0.2642870             -1.1685840
      0.1124950              0.1607410
Ta    D
      0.0447800              1.0000000
Ta    F
      0.6951000              1.0000000
Ta    F
      0.2086000              1.0000000
Ta    G
      0.4780000              1.0000000
end


ecp "Ta_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
W    S
     28.3881000              0.0286980
     17.7568000             -0.2410370
     11.1120000              0.7152180
      6.9493400             -0.5713300
      3.8150600             -0.5072560
      1.1124900              0.8128760
      0.5254010              0.5252410
      0.1615290              0.0346380
      0.0764090             -0.0129350
W    S
     28.3881000             -0.0084840
     17.7568000              0.0745440
     11.1120000             -0.2285180
      6.9493400              0.1874400
      3.8150600              0.1806120
      1.1124900             -0.3615620
      0.5254010             -0.3873630
      0.1615290              0.2480770
      0.0764090              0.6828620
W    S
     28.3881000             -0.0018080
     17.7568000              0.0639220
     11.1120000             -0.2421830
      6.9493400              0.1239880
      3.8150600              0.5003090
      1.1124900             -1.1225650
      0.5254010             -0.1993080
      0.1615290              2.3607790
      0.0764090             -1.1023500
W    S
     28.3881000              0.0138380
     17.7568000              0.0202260
     11.1120000             -0.2093720
      6.9493400             -0.0130360
      3.8150600              1.0461320
      1.1124900             -3.4415170
      0.5254010              3.3512290
      0.1615290              0.1364630
      0.0764090             -2.6080750
W    S
      0.0326700              1.0000000
W    P
     16.5554000             -0.0252630
     10.3744000              0.1409610
      5.5219000             -0.3299160
      1.2890200              0.5017200
      0.6355960              0.4805660
      0.3096450              0.1689050
      0.1370120              0.0157270
      0.0599380              0.0014690
W    P
     16.5554000              0.0071290
     10.3744000             -0.0411130
      5.5219000              0.0996190
      1.2890200             -0.1760570
      0.6355960             -0.2167410
      0.3096450             -0.0011430
      0.1370120              0.3928970
      0.0599380              0.5406250
W    P
     16.5554000              0.0109680
     10.3744000             -0.0640750
      5.5219000              0.1564780
      1.2890200             -0.2790200
      0.6355960             -0.3897030
      0.3096450              0.1566280
      0.1370120              0.7687580
      0.0599380              0.2655370
W    P
     16.5554000              0.0221780
     10.3744000             -0.1230550
      5.5219000              0.2995730
      1.2890200             -0.7580510
      0.6355960             -0.4980530
      0.3096450              1.7176990
      0.1370120             -0.2467290
      0.0599380             -0.8204790
W    P
      0.0258750              1.0000000
W    D
     13.6383000             -0.0026060
      8.5173400              0.0290880
      5.3232800             -0.0831780
      1.3931900              0.2105050
      0.6543070              0.3794490
      0.2943900              0.3825380
      0.1257220              0.2279060
W    D
     13.6383000              0.0025740
      8.5173400             -0.0333260
      5.3232800              0.1006620
      1.3931900             -0.3117890
      0.6543070             -0.5101020
      0.2943900              0.1043210
      0.1257220              0.6647930
W    D
     13.6383000              0.0068120
      8.5173400             -0.0594810
      5.3232800              0.1659640
      1.3931900             -0.7073810
      0.6543070             -0.2548900
      0.2943900              1.2651180
      0.1257220             -0.4506990
W    D
      0.0497170              1.0000000
W    F
      0.8266000              1.0000000
W    F
      0.2560000              1.0000000
W    G
      0.6205000              1.0000000
end


ecp "W_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Re    S
     30.4120000              0.0229870
     19.0142000             -0.1976360
     11.8921000              0.5813760
      7.4336100             -0.3840040
      4.1811300             -0.6002800
      1.1685700              0.8264270
      0.5539770              0.5102290
      0.1707810              0.0365510
      0.0792870             -0.0087660
Re    S
     30.4120000             -0.0072090
     19.0142000              0.0645740
     11.8921000             -0.1963520
      7.4336100              0.1354270
      4.1811300              0.2175540
      1.1685700             -0.3902690
      0.5539770             -0.3723360
      0.1707810              0.2672200
      0.0792870              0.6716710
Re    S
     30.4120000              0.0008190
     19.0142000              0.0437380
     11.8921000             -0.1772190
      7.4336100              0.0197240
      4.1811300              0.5658650
      1.1685700             -1.1960450
      0.5539770             -0.0926010
      0.1707810              2.2639340
      0.0792870             -1.0605870
Re    S
     30.4120000             -0.0059360
     19.0142000             -0.0062770
     11.8921000              0.0754730
      7.4336100              0.0512310
      4.1811300             -0.5040200
      1.1685700              1.6252170
      0.5539770             -1.6511890
      0.1707810              0.1479060
      0.0792870              0.9643860
Re    S
      0.0339090              1.0000000
Re    P
     18.3488000             -0.0168770
     11.4877000              0.0929150
      5.4325600             -0.2914010
      1.3785900              0.4982270
      0.6887660              0.4796070
      0.3380830              0.1752920
      0.1491600              0.0173410
      0.0643210              0.0013480
Re    P
     18.3488000              0.0046080
     11.4877000             -0.0268720
      5.4325600              0.0889710
      1.3785900             -0.1794810
      0.6887660             -0.2111050
      0.3380830             -0.0043780
      0.1491600              0.3822050
      0.0643210              0.5438540
Re    P
     18.3488000              0.0073690
     11.4877000             -0.0437140
      5.4325600              0.1463200
      1.3785900             -0.3009630
      0.6887660             -0.4000020
      0.3380830              0.1900900
      0.1491600              0.7604950
      0.0643210              0.2562560
Re    P
     18.3488000              0.0150340
     11.4877000             -0.0837840
      5.4325600              0.2804860
      1.3785900             -0.8342650
      0.6887660             -0.4202230
      0.3380830              1.7104440
      0.1491600             -0.3011560
      0.0643210             -0.7920800
Re    P
      0.0273440              1.0000000
Re    D
     13.8248000             -0.0010140
      8.6358600              0.0200690
      5.3969500             -0.0709260
      1.4943200              0.2136340
      0.7134790              0.3740960
      0.3249100              0.3691180
      0.1398360              0.2324990
Re    D
     13.8248000              0.0014410
      8.6358600             -0.0233020
      5.3969500              0.0813920
      1.4943200             -0.2826220
      0.7134790             -0.4844350
      0.3249100              0.0772300
      0.1398360              0.6339580
Re    D
     13.8248000             -0.0008920
      8.6358600              0.0318260
      5.3969500             -0.1289560
      1.4943200              0.6891180
      0.7134790              0.2530110
      0.3249100             -1.1068680
      0.1398360              0.1625610
Re    D
      0.0555530              1.0000000
Re    F
      0.9339000              1.0000000
Re    F
      0.2939000              1.0000000
Re    G
      0.7368000              1.0000000
end


ecp "Re_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Os    S
     32.3055000              0.0197370
     20.1934000             -0.1722810
     12.6258000              0.5020590
      7.8902100             -0.2729310
      4.4618300             -0.6628560
      1.2361300              0.8403110
      0.5888300              0.5041200
      0.1832610              0.0360460
      0.0839720             -0.0077430
Os    S
     32.3055000             -0.0065050
     20.1934000              0.0585150
     12.6258000             -0.1762530
      7.8902100              0.1041850
      4.4618300              0.2405050
      1.2361300             -0.4093240
      0.5888300             -0.3607630
      0.1832610              0.2734870
      0.0839720              0.6639500
Os    S
     32.3055000              0.0032420
     20.1934000              0.0321220
     12.6258000             -0.1472230
      7.8902100             -0.0521880
      4.4618300              0.6858550
      1.2361300             -1.4787110
      0.5888300              0.1833530
      0.1832610              2.2357940
      0.0839720             -1.2321000
Os    S
     32.3055000              0.0069550
     20.1934000              0.0417920
     12.6258000             -0.2181670
      7.8902100             -0.1049580
      4.4618300              1.2105800
      1.2361300             -4.1259100
      0.5888300              4.5902800
      0.1832610             -1.6062050
      0.0839720             -0.9747310
Os    S
      0.0358740              1.0000000
Os    P
     19.5631000             -0.0147080
     12.2451000              0.0813650
      5.5534200             -0.2865920
      1.4628400              0.5046710
      0.7345370              0.4803480
      0.3605750              0.1720070
      0.1566910              0.0167790
      0.0663330              0.0010290
Os    P
     19.5631000              0.0038110
     12.2451000             -0.0227510
      5.5534200              0.0856230
      1.4628400             -0.1797460
      0.7345370             -0.2015160
      0.3605750             -0.0014850
      0.1566910              0.3717870
      0.0663330              0.5436820
Os    P
     19.5631000              0.0068020
     12.2451000             -0.0412110
      5.5534200              0.1569900
      1.4628400             -0.3433910
      0.7345370             -0.4303710
      0.3605750              0.2960230
      0.1566910              0.7536120
      0.0663330              0.1966590
Os    P
     19.5631000              0.0137510
     12.2451000             -0.0773820
      5.5534200              0.2953390
      1.4628400             -0.9653980
      0.7345370             -0.2465530
      0.3605750              1.7281840
      0.1566910             -0.5259660
      0.0663330             -0.6793560
Os    P
      0.0277460              1.0000000
Os    D
     14.6857000             -0.0002690
      9.1712400              0.0164940
      5.7299200             -0.0666740
      1.5875600              0.2245470
      0.7672690              0.3796600
      0.3528390              0.3618810
      0.1530360              0.2216830
Os    D
     14.6857000              0.0012700
      9.1712400             -0.0225880
      5.7299200              0.0838610
      1.5875600             -0.3263310
      0.7672690             -0.5066390
      0.3528390              0.1706070
      0.1530360              0.6360850
Os    D
     14.6857000              0.0026700
      9.1712400             -0.0374650
      5.7299200              0.1404650
      1.5875600             -0.8231180
      0.7672690             -0.0536040
      0.3528390              1.1529670
      0.1530360             -0.4177890
Os    D
      0.0612280              1.0000000
Os    F
      1.0510000              1.0000000
Os    F
      0.3372000              1.0000000
Os    G
      0.8435000              1.0000000
end


ecp "Os_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Ir    S
     34.2048000              0.0173300
     21.3768000             -0.1532030
     13.3624000              0.4419330
      8.3483500             -0.1886920
      4.7316300             -0.7122250
      1.3078500              0.8529050
      0.6243340              0.4997460
      0.1938710              0.0352490
      0.0879490             -0.0070780
Ir    S
     34.2048000             -0.0060010
     21.3768000              0.0538850
     13.3624000             -0.1606020
      8.3483500              0.0803950
      4.7316300              0.2575940
      1.3078500             -0.4237510
      0.6243340             -0.3483540
      0.1938710              0.2800310
      0.0879490              0.6545570
Ir    S
     34.2048000              0.0057000
     21.3768000              0.0186860
     13.3624000             -0.1098820
      8.3483500             -0.1262300
      4.7316300              0.7876390
      1.3078500             -1.7027670
      0.6243340              0.4383340
      0.1938710              2.1004080
      0.0879490             -1.2318660
Ir    S
     34.2048000             -0.0001450
     21.3768000              0.0001550
     13.3624000              0.0004580
      8.3483500              0.0027310
      4.7316300             -0.0111600
      1.3078500              0.0322630
      0.6243340             -0.0309800
      0.1938710             -0.0019260
      0.0879490              0.0244470
Ir    S
      0.0375390              1.0000000
Ir    P
     20.7204000             -0.0132020
     12.9677000              0.0739520
      5.7222400             -0.2843120
      1.5503800              0.5102230
      0.7826600              0.4795020
      0.3855150              0.1697720
      0.1706090              0.0166680
      0.0728290              0.0012420
Ir    P
     20.7204000              0.0035200
     12.9677000             -0.0215200
      5.7222400              0.0890920
      1.5503800             -0.1924180
      0.7826600             -0.2089670
      0.3855150              0.0046730
      0.1706090              0.3828460
      0.0728290              0.5399630
Ir    P
     20.7204000              0.0068620
     12.9677000             -0.0422290
      5.7222400              0.1771470
      1.5503800             -0.4201130
      0.7826600             -0.4381970
      0.3855150              0.4034530
      0.1706090              0.7048150
      0.0728290              0.1692730
Ir    P
     20.7204000              0.0121460
     12.9677000             -0.0723020
      5.7222400              0.3121050
      1.5503800             -1.1249840
      0.7826600              0.0092840
      0.3855150              1.6533010
      0.1706090             -0.6527860
      0.0728290             -0.6166420
Ir    P
      0.0305710              1.0000000
Ir    D
     91.4125000              0.0000240
      9.7301300              0.0152170
      6.0771200             -0.0657240
      1.6882000              0.2340050
      0.8237860              0.3845350
      0.3820680              0.3558490
      0.1669650              0.2119760
Ir    D
     91.4125000             -0.0000130
      9.7301300             -0.0183130
      6.0771200              0.0780220
      1.6882000             -0.3254460
      0.8237860             -0.4793950
      0.3820680              0.1391480
      0.1669650              0.5831340
Ir    D
     91.4125000             -0.0000080
      9.7301300              0.0306140
      6.0771200             -0.1301790
      1.6882000              0.7766970
      0.8237860              0.1046450
      0.3820680             -1.0602650
      0.1669650              0.1697160
Ir    D
      0.0672310              1.0000000
Ir    F
      1.1759000              1.0000000
Ir    F
      0.3847000              1.0000000
Ir    G
      0.9577000              1.0000000
end


ecp "Ir_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Pt    S
     36.0064000              0.0156030
     22.4991000             -0.1396000
     14.0609000              0.3994690
      8.7816100             -0.1277440
      4.9923800             -0.7514510
      1.3838500              0.8633270
      0.6616170              0.4975940
      0.2048820              0.0347580
      0.0922300             -0.0065890
Pt    S
     36.0064000             -0.0056780
     22.4991000              0.0507550
     14.0609000             -0.1500300
      8.7816100              0.0639820
      4.9923800              0.2704110
      1.3838500             -0.4346570
      0.6616170             -0.3372900
      0.2048820              0.2814460
      0.0922300              0.6455790
Pt    S
     36.0064000              0.0070370
     22.4991000              0.0105250
     14.0609000             -0.0854980
      8.7816100             -0.1765590
      4.9923800              0.8567070
      1.3838500             -1.8442100
      0.6616170              0.6011560
      0.2048820              1.9822930
      0.0922300             -1.1764800
Pt    S
     36.0064000             -0.0114450
     22.4991000              0.1220440
     14.0609000             -0.3759060
      8.7816100              0.0553880
      4.9923800              1.1335870
      1.3838500             -4.2149190
      0.6616170              4.8759410
      0.2048820             -2.1659360
      0.0922300             -0.4268040
Pt    S
      0.0392640              1.0000000
Pt    P
     21.5986000             -0.0125150
     13.5160000              0.0715700
      5.9203700             -0.2872760
      1.6412600              0.5154190
      0.8311310              0.4804610
      0.4084300              0.1679960
      0.1754270              0.0158600
      0.0726850              0.0007950
Pt    P
     21.5986000              0.0029600
     13.5160000             -0.0191100
      5.9203700              0.0838980
      1.6412600             -0.1830090
      0.8311310             -0.1878840
      0.4084300             -0.0017870
      0.1754270              0.3606710
      0.0726850              0.5449210
Pt    P
     21.5986000              0.0067690
     13.5160000             -0.0429400
      5.9203700              0.1894550
      1.6412600             -0.4606470
      0.8311310             -0.4463350
      0.4084300              0.4896840
      0.1754270              0.6825880
      0.0726850              0.1279470
Pt    P
     21.5986000              0.0116510
     13.5160000             -0.0715220
      5.9203700              0.3259640
      1.6412600             -1.2148310
      0.8311310              0.1587270
      0.4084300              1.5953330
      0.1754270             -0.7779330
      0.0726850             -0.5304420
Pt    P
      0.0297610              1.0000000
Pt    D
     72.7562000              0.0000520
     10.4742000              0.0126260
      6.2509000             -0.0632410
      1.8018500              0.2396470
      0.8884540              0.3876720
      0.4156650              0.3517440
      0.1830800              0.2052900
Pt    D
     72.7562000             -0.0000370
     10.4742000             -0.0157890
      6.2509000              0.0782970
      1.8018500             -0.3582960
      0.8884540             -0.4793250
      0.4156650              0.1884070
      0.1830800              0.5781450
Pt    D
     72.7562000             -0.0000260
     10.4742000              0.0271890
      6.2509000             -0.1307380
      1.8018500              0.8378570
      0.8884540              0.0073940
      0.4156650             -1.0612590
      0.1830800              0.2490050
Pt    D
      0.0742330              1.0000000
Pt    F
      1.3040000              1.0000000
Pt    F
      0.4337000              1.0000000
Pt    G
      1.0772000              1.0000000
end


ecp "Pt_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Au    S
     36.0126000              0.0190290
     22.5645000             -0.1678000
     14.1620000              0.4966770
      8.8548700             -0.2662560
      5.0607200             -0.6998980
      1.4740500              0.8731080
      0.7049130              0.5025820
      0.2177870              0.0321960
      0.0974080             -0.0055030
Au    S
     36.0126000             -0.0067770
     22.5645000              0.0600080
     14.1620000             -0.1833280
      8.8548700              0.1147190
      5.0607200              0.2488220
      1.4740500             -0.4376710
      0.7049130             -0.3311080
      0.2177870              0.2741810
      0.0974080              0.6377380
Au    S
     36.0126000              0.0039090
     22.5645000              0.0337600
     14.1620000             -0.1660600
      8.8548700             -0.0517890
      5.0607200              0.7950230
      1.4740500             -1.8059270
      0.7049130              0.5612390
      0.2177870              1.8784270
      0.0974080             -0.9692290
Au    S
     36.0126000             -0.0119140
     22.5645000              0.1330690
     14.1620000             -0.4342870
      8.8548700              0.1701570
      5.0607200              1.0647560
      1.4740500             -4.0055360
      0.7049130              4.4028320
      0.2177870             -1.4321630
      0.0974080             -1.1432550
Au    S
      0.0412140              1.0000000
Au    P
     21.5954000             -0.0132180
     13.5145000              0.0801960
      6.2551400             -0.2966860
      1.7181400              0.5289590
      0.8694390              0.4788890
      0.4267590              0.1576200
      0.1842970              0.0138970
      0.0763790              0.0008350
Au    P
     21.5954000              0.0030800
     13.5145000             -0.0214060
      6.2551400              0.0867760
      1.7181400             -0.1897740
      0.8694390             -0.1858350
      0.4267590              0.0047800
      0.1842970              0.3638360
      0.0763790              0.5417640
Au    P
     21.5954000              0.0070860
     13.5145000             -0.0474930
      6.2551400              0.1918930
      1.7181400             -0.4636370
      0.8694390             -0.4351380
      0.4267590              0.4944030
      0.1842970              0.6751140
      0.0763790              0.1315360
Au    P
     21.5954000              0.0129200
     13.5145000             -0.0820290
      6.2551400              0.3386190
      1.7181400             -1.2549920
      0.8694390              0.2258130
      0.4267590              1.5758790
      0.1842970             -0.8043540
      0.0763790             -0.5073130
Au    P
      0.0312200              1.0000000
Au    D
     87.0208000              0.0000440
     11.0668000              0.0142880
      6.6604700             -0.0688760
      1.9469600              0.2395590
      0.9847060              0.3873230
      0.4746550              0.3487560
      0.2165580              0.1984920
Au    D
     87.0208000             -0.0000310
     11.0668000             -0.0199590
      6.6604700              0.0953200
      1.9469600             -0.4213430
      0.9847060             -0.5069330
      0.4746550              0.2854660
      0.2165580              0.5825650
Au    D
     87.0208000             -0.0000440
     11.0668000              0.0350830
      6.6604700             -0.1619420
      1.9469600              1.0421550
      0.9847060             -0.2648650
      0.4746550             -1.1163050
      0.2165580              0.5457620
Au    D
      0.0914720              1.0000000
Au    F
      1.4385000              1.0000000
Au    F
      0.4878000              1.0000000
Au    G
      1.2257000              1.0000000
end


ecp "Au_cc-pvtz-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-pvtz-pp" 
#basis SET: (37s,33p,22d,2f,1g) -> [5s,5p,4d,2f,1g]
Hg    S
     98.3058000              0.0010330
     19.6406000             -0.1063820
     12.3397000              0.5320730
      7.7478200             -0.5223240
      4.8629100             -0.5373210
      1.5771900              0.8847880
      0.7529260              0.5138340
      0.2351120              0.0294070
      0.1039680             -0.0061590
Hg    S
     98.3058000             -0.0003560
     19.6406000              0.0379090
     12.3397000             -0.2000130
      7.7478200              0.2240930
      4.8629100              0.1793740
      1.5771900             -0.4508330
      0.7529260             -0.3390550
      0.2351120              0.2934140
      0.1039680              0.6446280
Hg    S
     98.3058000             -0.0002170
     19.6406000             -0.0440670
     12.3397000              0.2876950
      7.7478200             -0.1894760
      4.8629100             -0.7807040
      1.5771900              2.1756040
      0.7529260             -0.8865840
      0.2351120             -1.8749170
      0.1039680              1.2470530
Hg    S
     98.3058000             -0.0020930
     19.6406000              0.1557830
     12.3397000             -0.7951410
      7.7478200              0.9970540
      4.8629100              0.5928610
      1.5771900             -4.4071970
      0.7529260              5.2898370
      0.2351120             -2.8866330
      0.1039680              0.3158740
Hg    S
      0.0434000              1.0000000
Hg    P
     21.4065000             -0.0128370
     13.3929000              0.0865310
      6.5102100             -0.3080410
      1.8222200              0.5327940
      0.9265070              0.4822070
      0.4550820              0.1546950
      0.1927600              0.0132010
      0.0786890              0.0005850
Hg    P
     21.4065000              0.0026690
     13.3929000             -0.0218770
      6.5102100              0.0865390
      1.8222200             -0.1847680
      0.9265070             -0.1773950
      0.4550820              0.0009770
      0.1927600              0.3536030
      0.0786890              0.5435820
Hg    P
     21.4065000              0.0061400
     13.3929000             -0.0480560
      6.5102100              0.1891060
      1.8222200             -0.4381190
      0.9265070             -0.4321930
      0.4550820              0.4570570
      0.1927600              0.6953570
      0.0786890              0.1420160
Hg    P
     21.4065000              0.0130140
     13.3929000             -0.0890970
      6.5102100              0.3480200
      1.8222200             -1.2184470
      0.9265070              0.1232280
      0.4550820              1.6284380
      0.1927600             -0.7824510
      0.0786890             -0.5112540
Hg    P
      0.0317290              1.0000000
Hg    D
     86.9881000              0.0000580
     11.9913000              0.0127790
      6.9364800             -0.0689630
      2.0864100              0.2415630
      1.0766400              0.3878580
      0.5311530              0.3454410
      0.2488080              0.1915090
Hg    D
     86.9881000              0.0000500
     11.9913000              0.0192460
      6.9364800             -0.1034870
      2.0864100              0.4847690
      1.0766400              0.5069510
      0.5311530             -0.3625720
      0.2488080             -0.5729800
Hg    D
     86.9881000             -0.0000430
     11.9913000              0.0337600
      6.9364800             -0.1746100
      2.0864100              1.2017020
      1.0766400             -0.5030930
      0.5311530             -1.1299990
      0.2488080              0.7749310
Hg    D
      0.1081700              1.0000000
Hg    F
      1.5814000              1.0000000
Hg    F
      0.5423000              1.0000000
Hg    G
      1.3737000              1.0000000
end


ecp "Hg_cc-pvtz-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-pvtz-pp" 
#basis SET: (21s,20p,8d,1f) -> [5s,4p,3d,1f]
Tl    S
    562.3040000              0.0001980
     35.2498000              0.0221110
     22.0333000             -0.1771730
     13.7732000              0.5247630
      6.6070300             -0.8455960
      4.1305000             -0.1972920
      1.6915600              0.9069980
      0.8210210              0.5217240
      0.0533000              0.0011640
Tl    S
    562.3040000             -0.0000840
     35.2498000             -0.0071210
     22.0333000              0.0624260
     13.7732000             -0.1989080
      6.6070300              0.3623280
      4.1305000              0.0590030
      1.6915600             -0.4951260
      0.8210210             -0.4018200
      0.0533000              0.2582840
Tl    S
      0.2773460              1.0000000
Tl    S
      0.1267730              1.0000000
Tl    S
      0.0572000              1.0000000
Tl    P
     18.7574000             -0.0166780
     11.7331000              0.1512460
      6.9769600             -0.3814160
      1.9274400              0.5503950
      0.9808470              0.4895040
      0.4788090              0.1406890
      0.1908570              0.0089600
      0.0751060              0.0001670
      0.0295540              0.0000910
Tl    P
     18.7574000              0.0026180
     11.7331000             -0.0328790
      6.9769600              0.0924060
      1.9274400             -0.1666270
      0.9808470             -0.1563700
      0.4788090             -0.0023450
      0.1908570              0.3309880
      0.0751060              0.5452360
      0.0295540              0.2687240
Tl    P
      0.2939000              1.0000000
Tl    P
      0.0434000              1.0000000
Tl    D
     64.9978000              0.0001920
     10.5732000              0.0213830
      6.6121700             -0.0882380
      2.1735300              0.2702850
      1.1010200              0.4265460
      0.5290980              0.3444120
Tl    D
      0.2386600              1.0000000
Tl    D
      0.0908000              1.0000000
Tl    F
      0.2918000              1.0000000
end


ecp "Tl_cc-pvtz-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-pvtz-pp" 
#basis SET: (21s,20p,8d,1f) -> [5s,4p,3d,1f]
Pb    S
    544.6750000              0.0003190
     36.5128000              0.0242140
     22.7761000             -0.1854660
     14.2262000              0.5460900
      6.8950000             -0.8705150
      4.3096900             -0.2035780
      1.8008500              0.9089240
      0.8907680              0.5320000
      0.0632880              0.0010520
Pb    S
    544.6750000             -0.0001460
     36.5128000             -0.0083480
     22.7761000              0.0694480
     14.2262000             -0.2207290
      6.8950000              0.4003450
      4.3096900              0.0629640
      1.8008500             -0.5315590
      0.8907680             -0.4479460
      0.0632880              0.2440990
Pb    S
      0.3189680              1.0000000
Pb    S
      0.1483520              1.0000000
Pb    S
      0.0681000              1.0000000
Pb    P
     18.6489000             -0.0178000
     11.6679000              0.1793570
      7.2934900             -0.4167250
      2.0284900              0.5595180
      1.0409700              0.4925180
      0.5141900              0.1323700
      0.2286510              0.0080590
      0.0958280              0.0007990
      0.0392290             -0.0000270
Pb    P
     18.6489000              0.0030930
     11.6679000             -0.0453160
      7.2934900              0.1173920
      2.0284900             -0.2007620
      1.0409700             -0.1848820
      0.5141900             -0.0054120
      0.2286510              0.3698780
      0.0958280              0.5468910
      0.0392290              0.2294930
Pb    P
      0.3696000              1.0000000
Pb    P
      0.0586000              1.0000000
Pb    D
     61.3970000              0.0003250
     12.3735000              0.0132110
      6.9268600             -0.0727810
      2.3308700              0.2697210
      1.2101900              0.4265860
      0.6005160              0.3381390
Pb    D
      0.2807870              1.0000000
Pb    D
      0.1093000              1.0000000
Pb    F
      0.2900000              1.0000000
end


ecp "Pb_cc-pvtz-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-pvtz-pp" 
#basis SET: (21s,20p,8d,1f) -> [5s,4p,3d,1f]
Bi    S
    798.6330000              0.0003890
     95.0023000              0.0021040
     21.2520000             -0.1296810
     13.2919000              0.6651190
      8.3121000             -0.7740220
      5.1947600             -0.4577470
      1.9097200              0.9010720
      0.9622710              0.5445340
      0.0732650              0.0010360
Bi    S
    798.6330000             -0.0001910
     95.0023000             -0.0008850
     21.2520000              0.0550530
     13.2919000             -0.3024060
      8.3121000              0.3964830
      5.1947600              0.1783230
      1.9097200             -0.5704930
      0.9622710             -0.4792590
      0.0732650              0.2315980
Bi    S
      0.3560260              1.0000000
Bi    S
      0.1683270              1.0000000
Bi    S
      0.0784000              1.0000000
Bi    P
     19.2259000             -0.0161520
     12.0378000              0.1760310
      7.5362100             -0.4201030
      2.1608400              0.5526740
      1.1303600              0.4995620
      0.5667780              0.1344950
      0.2716080              0.0080460
      0.1177690              0.0010310
      0.0493040             -0.0001620
Bi    P
     19.2259000              0.0027330
     12.0378000             -0.0488430
      7.5362100              0.1318400
      2.1608400             -0.2252710
      1.1303600             -0.2078760
      0.5667780             -0.0155850
      0.2716080              0.3938490
      0.1177690              0.5508800
      0.0493040              0.2111500
Bi    P
      0.4469000              1.0000000
Bi    P
      0.0743000              1.0000000
Bi    D
     65.0224000              0.0003950
     13.6908000              0.0112010
      7.0959100             -0.0723170
      2.5209000              0.2632860
      1.3406600              0.4273250
      0.6825580              0.3375340
Bi    D
      0.3277140              1.0000000
Bi    D
      0.1306000              1.0000000
Bi    F
      0.3164000              1.0000000
end


ecp "Bi_cc-pvtz-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-pvtz-pp" 
#basis SET: (21s,20p,8d,1f) -> [5s,4p,3d,1f]
Po    S
   2284.7600000              0.0002360
    345.7740000              0.0011910
     40.9204000              0.0268960
     25.5771000             -0.1699090
     15.9942000              0.4554490
      6.7938300             -0.9748070
      1.9270900              0.9172590
      0.9970320              0.5026630
      0.0735360              0.0013620
Po    S
   2284.7600000              0.0001140
    345.7740000              0.0006790
     40.9204000              0.0074840
     25.5771000             -0.0578310
     15.9942000              0.1842770
      6.7938300             -0.4716170
      1.9270900              0.6656440
      0.9970320              0.4192020
      0.0735360             -0.1458700
Po    S
      0.3403500              1.0000000
Po    S
      0.1617240              1.0000000
Po    S
      0.0875000              1.0000000
Po    P
     19.7714000             -0.0144910
     12.3921000              0.1732690
      7.7740700             -0.4241670
      2.2913100              0.5524090
      1.2059400              0.5120890
      0.5946110              0.1278370
      0.2986450              0.0052540
      0.1297420              0.0020100
      0.0539350             -0.0001320
Po    P
     19.7714000              0.0021050
     12.3921000             -0.0508490
      7.7740700              0.1432890
      2.2913100             -0.2470410
      1.2059400             -0.2322350
      0.5946110              0.0071000
      0.2986450              0.4246290
      0.1297420              0.5319740
      0.0539350              0.1972940
Po    P
      0.4953000              1.0000000
Po    P
      0.0797000              1.0000000
Po    D
     67.9636000              0.0004990
     14.9883000              0.0101500
      7.2607400             -0.0719050
      2.7107000              0.2594360
      1.4638300              0.4323430
      0.7558280              0.3375810
Po    D
      0.3671760              1.0000000
Po    D
      0.1484000              1.0000000
Po    F
      0.3250000              1.0000000
end


ecp "Po_cc-pvtz-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-pvtz-pp" 
#basis SET: (21s,20p,8d,1f) -> [5s,4p,3d,1f]
At    S
   2405.3100000              0.0001700
    365.5650000              0.0008190
     41.9062000              0.0224870
     26.2026000             -0.1576560
     16.3915000              0.4528990
      7.0834100             -0.9917430
      2.0331300              0.9225040
      1.0700700              0.5052420
      0.0818330              0.0013480
At    S
   2405.3100000             -0.0000820
    365.5650000             -0.0004930
     41.9062000             -0.0054020
     26.2026000              0.0531700
     16.3915000             -0.1887440
      7.0834100              0.4997270
      2.0331300             -0.7071970
      1.0700700             -0.4337520
      0.0818330              0.1365100
At    S
      0.3760710              1.0000000
At    S
      0.1794470              1.0000000
At    S
      0.0966000              1.0000000
At    P
     20.2970000             -0.0118100
     12.7312000              0.1669480
      8.0003400             -0.4251720
      2.4479600              0.5371220
      1.3108200              0.5267320
      0.6458650              0.1326450
      0.3337580              0.0045660
      0.1461660              0.0028370
      0.0608710             -0.0000470
At    P
     20.2970000              0.0010180
     12.7312000             -0.0512500
      8.0003400              0.1534750
      2.4479600             -0.2616100
      1.3108200             -0.2555450
      0.6458650              0.0133140
      0.3337580              0.4434770
      0.1461660              0.5252820
      0.0608710              0.1879620
At    P
      0.5686000              1.0000000
At    P
      0.0929000              1.0000000
At    D
     70.9454000              0.0006200
     16.2560000              0.0096710
      7.3603200             -0.0734590
      2.9233600              0.2525880
      1.5991200              0.4379470
      0.8340870              0.3400530
At    D
      0.4081410              1.0000000
At    D
      0.1683000              1.0000000
At    F
      0.3719000              1.0000000
end


ecp "At_cc-pvtz-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-pvtz-pp" 
#basis SET: (21s,20p,8d,1f) -> [5s,4p,3d,1f]
Rn    S
   3407.2000000              0.0002290
    516.4830000              0.0012550
     97.0281000              0.0036740
     26.4655000             -0.0885740
     16.5631000              0.3733190
      7.2510600             -0.9622370
      2.1719300              0.8751670
      1.1801200              0.5520340
      0.0909250              0.0020960
Rn    S
   3407.2000000             -0.0001250
    516.4830000             -0.0007910
     97.0281000             -0.0013530
     26.4655000              0.0328160
     16.5631000             -0.1662340
      7.2510600              0.5134720
      2.1719300             -0.7293370
      1.1801200             -0.4533150
      0.0909250              0.1289040
Rn    S
      0.4014950              1.0000000
Rn    S
      0.1948420              1.0000000
Rn    S
      0.1060000              1.0000000
Rn    P
     20.7239000             -0.0087120
     12.9996000              0.1615290
      8.1734800             -0.4339190
      2.7474200              0.4447680
      1.5639000              0.5621850
      0.8110200              0.1912550
      0.4009630              0.0133510
      0.1737640              0.0015260
      0.0715760             -0.0001560
Rn    P
     20.7239000             -0.0002330
     12.9996000             -0.0514810
      8.1734800              0.1655770
      2.7474200             -0.2323410
      1.5639000             -0.2874580
      0.8110200             -0.0486090
      0.4009630              0.4450460
      0.1737640              0.5480680
      0.0715760              0.1999230
Rn    P
      0.6463000              1.0000000
Rn    P
      0.1083000              1.0000000
Rn    D
     75.4318000              0.0007340
     18.0171000              0.0088650
      7.3516500             -0.0771450
      3.2521200              0.2250370
      1.8098900              0.4386570
      0.9565500              0.3545790
Rn    D
      0.4747500              1.0000000
Rn    D
      0.1960000              1.0000000
Rn    F
      0.4303000              1.0000000
end


ecp "Rn_cc-pvtz-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
