# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# aug-seg-cc-pwCVQZ-PP version number 1
# Description: aug-seg-cc-pwCVQZ-PP
# Role: orbital
# 
#  If you downloaded data from the basis set
#  exchange or used the basis set exchange python library, please cite:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# 
#  References for the basis set
# 
#  Y-Cd,Hf-Hg
#      aug-seg-cc-pwCVQZ-PP
#          schoendorff2022a
# 
# 
# 
# schoendorff2022a
#     Schoendorff, George, Boatz, Jerry A.
#     Segmented correlation consistent basis sets for the 4d and 5d
#             transition metals
#     J. Chem. Phys. 156, 064102 (2022)
#     10.1063/5.0080377
# 
# # 
basis "Y_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Y    S
      5.17713000E+03         5.28541893E-05
      8.03788000E+02         3.77056205E-04
      1.76855000E+02         1.66952238E-03
      2.47094000E+01         6.10661139E-02
      1.54311000E+01        -4.61489320E-01
      9.63706000E+00         1.38545952E+00
Y    S
      3.65569000E+00         1.00000000E+00
Y    S
      2.18879000E+00         1.00000000E+00
Y    S
      9.66901000E-01         1.00000000E+00
Y    S
      5.20335000E-01         1.00000000E+00
Y    S
      2.68738000E-01         1.00000000E+00
Y    S
      9.34310000E-02         1.00000000E+00
Y    S
      4.42780000E-02         1.00000000E+00
Y    S
      2.05860000E-02         1.00000000E+00
Y    S
      9.600000E-03           1.000000E+00
Y    P
      1.07411000E+02         5.28725221E-04
      7.82537000E+00         2.39803034E-01
      4.88964000E+00        -7.01583508E-01
      2.63467000E+00        -5.30520563E-01
Y    P
      1.29064000E+00         1.00000000E+00
Y    P
      6.86563000E-01         1.00000000E+00
Y    P
      3.64254000E-01         1.00000000E+00
Y    P
      1.88079000E-01         1.00000000E+00
Y    P
      9.06470000E-02         1.00000000E+00
Y    P
      4.33930000E-02         1.00000000E+00
Y    P
      2.03400000E-02         1.00000000E+00
Y    P
      9.500000E-03           1.000000E+00
Y    D
      4.44707000E+01         2.70120087E-03
      1.22260000E+01         2.58691930E-02
      5.01459000E+00        -1.33356209E-01
      1.66576000E+00         1.07058980E+00
Y    D
      8.89400000E-01         1.00000000E+00
Y    D
      4.49232000E-01         1.00000000E+00
Y    D
      2.17854000E-01         1.00000000E+00
Y    D
      1.02324000E-01         1.00000000E+00
Y    D
      4.68400000E-02         1.00000000E+00
Y    D
      2.05940000E-02         1.00000000E+00
Y    D
      9.100000E-03           1.000000E+00
Y    F
      1.75150000E+00         1.00000000E+00
Y    F
      6.99800000E-01         1.00000000E+00
Y    F
      2.79600000E-01         1.00000000E+00
Y    F
      8.80000000E-02         1.00000000E+00
Y    F
      2.770000E-02           1.000000E+00
Y    G
      1.42400000E+00         1.00000000E+00
Y    G
      5.60700000E-01         1.00000000E+00
Y    G
      1.73500000E-01         1.00000000E+00
Y    G
      5.370000E-02           1.000000E+00
Y    H
      1.16790000E+00         1.00000000E+00
Y    H
      3.39500000E-01         1.00000000E+00
Y    H
      9.870000E-02           1.000000E+00
end


ecp "Y_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Zr    S
      5.67524000E+03         5.63483267E-05
      8.63134000E+02         4.06213446E-04
      1.90340000E+02         1.76347488E-03
      2.69090000E+01         6.10312656E-02
      1.68039000E+01        -4.64129095E-01
      1.04957000E+01         1.38792761E+00
Zr    S
      3.93168000E+00         1.00000000E+00
Zr    S
      2.40653000E+00         1.00000000E+00
Zr    S
      1.05628000E+00         1.00000000E+00
Zr    S
      5.71027000E-01         1.00000000E+00
Zr    S
      2.95858000E-01         1.00000000E+00
Zr    S
      1.04325000E-01         1.00000000E+00
Zr    S
      4.85630000E-02         1.00000000E+00
Zr    S
      2.23560000E-02         1.00000000E+00
Zr    S
      1.030000E-02           1.000000E+00
Zr    P
      1.22614000E+02         4.88391939E-04
      8.60176000E+00         2.37001791E-01
      5.37567000E+00        -6.89730144E-01
      2.87326000E+00        -5.40265748E-01
Zr    P
      1.43148000E+00         1.00000000E+00
Zr    P
      7.58542000E-01         1.00000000E+00
Zr    P
      3.98333000E-01         1.00000000E+00
Zr    P
      2.00552000E-01         1.00000000E+00
Zr    P
      9.42630000E-02         1.00000000E+00
Zr    P
      4.39730000E-02         1.00000000E+00
Zr    P
      2.02460000E-02         1.00000000E+00
Zr    P
      9.300000E-03           1.000000E+00
Zr    D
      4.86431000E+01         2.71922423E-03
      1.35835000E+01         2.57136641E-02
      5.39453000E+00        -1.55216718E-01
      1.86300000E+00         1.08546333E+00
Zr    D
      1.00792000E+00         1.00000000E+00
Zr    D
      5.19820000E-01         1.00000000E+00
Zr    D
      2.59455000E-01         1.00000000E+00
Zr    D
      1.25590000E-01         1.00000000E+00
Zr    D
      5.89320000E-02         1.00000000E+00
Zr    D
      2.62290000E-02         1.00000000E+00
Zr    D
      1.170000E-02           1.000000E+00
Zr    F
      2.30580000E+00         1.00000000E+00
Zr    F
      9.64800000E-01         1.00000000E+00
Zr    F
      4.03700000E-01         1.00000000E+00
Zr    F
      1.35400000E-01         1.00000000E+00
Zr    F
      4.540000E-02           1.000000E+00
Zr    G
      1.70300000E+00         1.00000000E+00
Zr    G
      7.28400000E-01         1.00000000E+00
Zr    G
      2.49000000E-01         1.00000000E+00
Zr    G
      8.510000E-02           1.000000E+00
Zr    H
      1.49340000E+00         1.00000000E+00
Zr    H
      5.01000000E-01         1.00000000E+00
Zr    H
      1.681000E-01           1.000000E+00
end


ecp "Zr_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Nb    S
      5.72936000E+03         6.49397451E-05
      8.98757000E+02         4.48508437E-04
      2.03154000E+02         1.84195648E-03
      2.90821000E+01         6.28284980E-02
      1.81596000E+01        -4.69937286E-01
      1.13420000E+01         1.39186462E+00
Nb    S
      4.22454000E+00         1.00000000E+00
Nb    S
      2.63817000E+00         1.00000000E+00
Nb    S
      1.15099000E+00         1.00000000E+00
Nb    S
      6.25000000E-01         1.00000000E+00
Nb    S
      3.24481000E-01         1.00000000E+00
Nb    S
      1.14137000E-01         1.00000000E+00
Nb    S
      5.24230000E-02         1.00000000E+00
Nb    S
      2.39040000E-02         1.00000000E+00
Nb    S
      1.090000E-02           1.000000E+00
Nb    P
      1.38460000E+02         4.45895186E-04
      9.31238000E+00         2.36196318E-01
      5.82015000E+00        -6.90737771E-01
      3.05896000E+00        -5.39866315E-01
Nb    P
      1.59027000E+00         1.00000000E+00
Nb    P
      8.36138000E-01         1.00000000E+00
Nb    P
      4.36032000E-01         1.00000000E+00
Nb    P
      2.16716000E-01         1.00000000E+00
Nb    P
      1.01883000E-01         1.00000000E+00
Nb    P
      4.73870000E-02         1.00000000E+00
Nb    P
      2.17480000E-02         1.00000000E+00
Nb    P
      1.000000E-02           1.000000E+00
Nb    D
      5.55243000E+01         3.42410399E-03
      1.58430000E+01         2.97706819E-02
      5.79206000E+00        -1.90912820E-01
      2.17768000E+00         1.11317621E+00
Nb    D
      1.22090000E+00         1.00000000E+00
Nb    D
      6.44577000E-01         1.00000000E+00
Nb    D
      3.27811000E-01         1.00000000E+00
Nb    D
      1.60918000E-01         1.00000000E+00
Nb    D
      7.61310000E-02         1.00000000E+00
Nb    D
      3.39110000E-02         1.00000000E+00
Nb    D
      1.510000E-02           1.000000E+00
Nb    F
      2.97300000E+00         1.00000000E+00
Nb    F
      1.25610000E+00         1.00000000E+00
Nb    F
      5.30700000E-01         1.00000000E+00
Nb    F
      1.83500000E-01         1.00000000E+00
Nb    F
      6.340000E-02           1.000000E+00
Nb    G
      2.00150000E+00         1.00000000E+00
Nb    G
      9.01900000E-01         1.00000000E+00
Nb    G
      3.31800000E-01         1.00000000E+00
Nb    G
      1.221000E-01           1.000000E+00
Nb    H
      1.82240000E+00         1.00000000E+00
Nb    H
      6.73200000E-01         1.00000000E+00
Nb    H
      2.487000E-01           1.000000E+00
end


ecp "Nb_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Mo    S
      6.71123000E+03         6.43332508E-05
      9.88262000E+02         4.80808582E-04
      2.16291000E+02         2.01360886E-03
      3.11617000E+01         6.25043227E-02
      1.94654000E+01        -4.70119013E-01
      1.21603000E+01         1.39225607E+00
Mo    S
      4.51710000E+00         1.00000000E+00
Mo    S
      2.82032000E+00         1.00000000E+00
Mo    S
      1.26028000E+00         1.00000000E+00
Mo    S
      6.80013000E-01         1.00000000E+00
Mo    S
      3.51406000E-01         1.00000000E+00
Mo    S
      1.24746000E-01         1.00000000E+00
Mo    S
      5.66870000E-02         1.00000000E+00
Mo    S
      2.55690000E-02         1.00000000E+00
Mo    S
      1.150000E-02           1.000000E+00
Mo    P
      1.52958000E+02         4.29803985E-04
      1.00454000E+01         2.34982048E-01
      6.27869000E+00        -6.90178273E-01
      3.25290000E+00        -5.40509901E-01
Mo    P
      1.75619000E+00         1.00000000E+00
Mo    P
      9.16440000E-01         1.00000000E+00
Mo    P
      4.75210000E-01         1.00000000E+00
Mo    P
      2.34041000E-01         1.00000000E+00
Mo    P
      1.09987000E-01         1.00000000E+00
Mo    P
      5.09000000E-02         1.00000000E+00
Mo    P
      2.31980000E-02         1.00000000E+00
Mo    P
      1.060000E-02           1.000000E+00
Mo    D
      6.40194000E+01         2.81691235E-03
      1.75538000E+01         2.78823720E-02
      6.50016000E+00        -2.24222850E-01
      2.40482000E+00         1.13025656E+00
Mo    D
      1.34210000E+00         1.00000000E+00
Mo    D
      7.07823000E-01         1.00000000E+00
Mo    D
      3.60336000E-01         1.00000000E+00
Mo    D
      1.77077000E-01         1.00000000E+00
Mo    D
      8.36650000E-02         1.00000000E+00
Mo    D
      3.70260000E-02         1.00000000E+00
Mo    D
      1.640000E-02           1.000000E+00
Mo    F
      3.59860000E+00         1.00000000E+00
Mo    F
      1.52520000E+00         1.00000000E+00
Mo    F
      6.46500000E-01         1.00000000E+00
Mo    F
      2.26300000E-01         1.00000000E+00
Mo    F
      7.920000E-02           1.000000E+00
Mo    G
      2.27580000E+00         1.00000000E+00
Mo    G
      1.05290000E+00         1.00000000E+00
Mo    G
      4.00700000E-01         1.00000000E+00
Mo    G
      1.525000E-01           1.000000E+00
Mo    H
      2.13680000E+00         1.00000000E+00
Mo    H
      8.38400000E-01         1.00000000E+00
Mo    H
      3.289000E-01           1.000000E+00
end


ecp "Mo_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Tc    S
      7.01108000E+03         7.18153329E-05
      1.04610000E+03         5.26001833E-04
      2.30493000E+02         2.13985948E-03
      3.33218000E+01         6.43689877E-02
      2.08105000E+01        -4.74497625E-01
      1.29975000E+01         1.39478306E+00
Tc    S
      4.83051000E+00         1.00000000E+00
Tc    S
      3.01552000E+00         1.00000000E+00
Tc    S
      1.37062000E+00         1.00000000E+00
Tc    S
      7.35836000E-01         1.00000000E+00
Tc    S
      3.78816000E-01         1.00000000E+00
Tc    S
      1.33549000E-01         1.00000000E+00
Tc    S
      6.01560000E-02         1.00000000E+00
Tc    S
      2.69230000E-02         1.00000000E+00
Tc    S
      1.200000E-02           1.000000E+00
Tc    P
      1.65031100E+02         4.36571245E-04
      1.07957000E+01         2.36695925E-01
      6.74841000E+00        -6.96883816E-01
      3.48249000E+00        -5.35742583E-01
Tc    P
      1.91853000E+00         1.00000000E+00
Tc    P
      1.00188000E+00         1.00000000E+00
Tc    P
      5.22155000E-01         1.00000000E+00
Tc    P
      2.60882000E-01         1.00000000E+00
Tc    P
      1.21274000E-01         1.00000000E+00
Tc    P
      5.54020000E-02         1.00000000E+00
Tc    P
      2.48480000E-02         1.00000000E+00
Tc    P
      1.110000E-02           1.000000E+00
Tc    D
      7.11813000E+01         2.64442464E-03
      1.95319000E+01         2.60211384E-02
      7.23743000E+00        -2.09015323E-01
      2.61134000E+00         1.11921117E+00
Tc    D
      1.47734000E+00         1.00000000E+00
Tc    D
      7.88005000E-01         1.00000000E+00
Tc    D
      4.04935000E-01         1.00000000E+00
Tc    D
      2.00364000E-01         1.00000000E+00
Tc    D
      9.49110000E-02         1.00000000E+00
Tc    D
      4.19450000E-02         1.00000000E+00
Tc    D
      1.850000E-02           1.000000E+00
Tc    F
      4.21860000E+00         1.00000000E+00
Tc    F
      1.79370000E+00         1.00000000E+00
Tc    F
      7.62700000E-01         1.00000000E+00
Tc    F
      2.70000000E-01         1.00000000E+00
Tc    F
      9.560000E-02           1.000000E+00
Tc    G
      2.56760000E+00         1.00000000E+00
Tc    G
      1.21960000E+00         1.00000000E+00
Tc    G
      4.82300000E-01         1.00000000E+00
Tc    G
      1.907000E-01           1.000000E+00
Tc    H
      2.42760000E+00         1.00000000E+00
Tc    H
      9.93200000E-01         1.00000000E+00
Tc    H
      4.063000E-01           1.000000E+00
end


ecp "Tc_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Ru    S
      7.26989000E+03         8.06708366E-05
      1.08784000E+03         5.86383467E-04
      2.41787000E+02         2.36232315E-03
      3.54525000E+01         6.48950296E-02
      2.21415000E+01        -4.76212490E-01
      1.38292000E+01         1.39588883E+00
Ru    S
      5.13213000E+00         1.00000000E+00
Ru    S
      3.17059000E+00         1.00000000E+00
Ru    S
      1.49487000E+00         1.00000000E+00
Ru    S
      8.00530000E-01         1.00000000E+00
Ru    S
      4.11638000E-01         1.00000000E+00
Ru    S
      1.42417000E-01         1.00000000E+00
Ru    S
      6.35630000E-02         1.00000000E+00
Ru    S
      2.82960000E-02         1.00000000E+00
Ru    S
      1.260000E-02           1.000000E+00
Ru    P
      1.74307000E+02         4.36312051E-04
      1.15040000E+01         2.28720708E-01
      7.19176000E+00        -6.82053165E-01
      3.57498000E+00        -5.46610044E-01
Ru    P
      2.13078000E+00         1.00000000E+00
Ru    P
      1.08922000E+00         1.00000000E+00
Ru    P
      5.58637000E-01         1.00000000E+00
Ru    P
      2.70477000E-01         1.00000000E+00
Ru    P
      1.23896000E-01         1.00000000E+00
Ru    P
      5.58230000E-02         1.00000000E+00
Ru    P
      2.48420000E-02         1.00000000E+00
Ru    P
      1.110000E-02           1.000000E+00
Ru    D
      7.53751000E+01         2.66822267E-03
      1.98901000E+01         3.08920892E-02
      7.87924000E+00        -2.76768808E-01
      2.90834000E+00         1.15703029E+00
Ru    D
      1.63883000E+00         1.00000000E+00
Ru    D
      8.75730000E-01         1.00000000E+00
Ru    D
      4.50483000E-01         1.00000000E+00
Ru    D
      2.22770000E-01         1.00000000E+00
Ru    D
      1.05342000E-01         1.00000000E+00
Ru    D
      4.64550000E-02         1.00000000E+00
Ru    D
      2.050000E-02           1.000000E+00
Ru    F
      4.80390000E+00         1.00000000E+00
Ru    F
      2.06150000E+00         1.00000000E+00
Ru    F
      8.84600000E-01         1.00000000E+00
Ru    F
      3.17200000E-01         1.00000000E+00
Ru    F
      1.138000E-01           1.000000E+00
Ru    G
      2.88550000E+00         1.00000000E+00
Ru    G
      1.40870000E+00         1.00000000E+00
Ru    G
      5.77800000E-01         1.00000000E+00
Ru    G
      2.370000E-01           1.000000E+00
Ru    H
      2.73230000E+00         1.00000000E+00
Ru    H
      1.16460000E+00         1.00000000E+00
Ru    H
      4.964000E-01           1.000000E+00
end


ecp "Ru_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Rh    S
      7.37422000E+03         9.16253491E-05
      1.11472000E+03         6.53496696E-04
      2.49938000E+02         2.53799854E-03
      3.75315000E+01         6.53318410E-02
      2.34385000E+01        -4.72178862E-01
      1.46379000E+01         1.39170743E+00
Rh    S
      5.55421000E+00         1.00000000E+00
Rh    S
      3.42242000E+00         1.00000000E+00
Rh    S
      1.64928000E+00         1.00000000E+00
Rh    S
      8.83226000E-01         1.00000000E+00
Rh    S
      4.51970000E-01         1.00000000E+00
Rh    S
      1.53006000E-01         1.00000000E+00
Rh    S
      6.78490000E-02         1.00000000E+00
Rh    S
      2.99320000E-02         1.00000000E+00
Rh    S
      1.320000E-02           1.000000E+00
Rh    P
      1.86862000E+02         4.40163309E-04
      1.23059000E+01         2.26264132E-01
      7.69358000E+00        -6.76777336E-01
      3.77956000E+00        -5.50700834E-01
Rh    P
      2.32326000E+00         1.00000000E+00
Rh    P
      1.18473000E+00         1.00000000E+00
Rh    P
      6.09237000E-01         1.00000000E+00
Rh    P
      2.96827000E-01         1.00000000E+00
Rh    P
      1.37271000E-01         1.00000000E+00
Rh    P
      6.21260000E-02         1.00000000E+00
Rh    P
      2.76060000E-02         1.00000000E+00
Rh    P
      1.230000E-02           1.000000E+00
Rh    D
      8.06204000E+01         3.49092609E-03
      2.21259000E+01         3.29502180E-02
      7.95834000E+00        -2.59978251E-01
      3.19569000E+00         1.16124110E+00
Rh    D
      1.81137000E+00         1.00000000E+00
Rh    D
      9.71383000E-01         1.00000000E+00
Rh    D
      5.01797000E-01         1.00000000E+00
Rh    D
      2.49068000E-01         1.00000000E+00
Rh    D
      1.17970000E-01         1.00000000E+00
Rh    D
      5.19500000E-02         1.00000000E+00
Rh    D
      2.290000E-02           1.000000E+00
Rh    F
      5.49710000E+00         1.00000000E+00
Rh    F
      2.36880000E+00         1.00000000E+00
Rh    F
      1.02080000E+00         1.00000000E+00
Rh    F
      3.69100000E-01         1.00000000E+00
Rh    F
      1.335000E-01           1.000000E+00
Rh    G
      3.20910000E+00         1.00000000E+00
Rh    G
      1.60160000E+00         1.00000000E+00
Rh    G
      6.74000000E-01         1.00000000E+00
Rh    G
      2.836000E-01           1.000000E+00
Rh    H
      3.04450000E+00         1.00000000E+00
Rh    H
      1.34360000E+00         1.00000000E+00
Rh    H
      5.929000E-01           1.000000E+00
end


ecp "Rh_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Pd    S
      7.84489000E+03         9.68203672E-05
      1.16953000E+03         7.01188396E-04
      2.59644000E+02         2.71011250E-03
      3.92211000E+01         6.37715452E-02
      2.44934000E+01        -4.67746850E-01
      1.52969000E+01         1.38877735E+00
Pd    S
      6.03896000E+00         1.00000000E+00
Pd    S
      3.76228000E+00         1.00000000E+00
Pd    S
      1.80710000E+00         1.00000000E+00
Pd    S
      9.74305000E-01         1.00000000E+00
Pd    S
      4.97203000E-01         1.00000000E+00
Pd    S
      1.62020000E-01         1.00000000E+00
Pd    S
      7.14600000E-02         1.00000000E+00
Pd    S
      3.13100000E-02         1.00000000E+00
Pd    S
      1.370000E-02           1.000000E+00
Pd    P
      9.88243000E+01         1.76487626E-03
      2.79859000E+01        -2.59237013E-02
      1.74873000E+01         1.62285367E-01
      6.78638000E+00        -1.10600022E+00
Pd    P
      1.98788000E+00         1.00000000E+00
Pd    P
      1.06573000E+00         1.00000000E+00
Pd    P
      5.83829000E-01         1.00000000E+00
Pd    P
      3.14636000E-01         1.00000000E+00
Pd    P
      1.35737000E-01         1.00000000E+00
Pd    P
      6.02770000E-02         1.00000000E+00
Pd    P
      2.65400000E-02         1.00000000E+00
Pd    P
      1.170000E-02           1.000000E+00
Pd    D
      7.83406000E+01         5.23760012E-03
      2.10235000E+01         5.20312062E-02
      7.51873000E+00        -4.94665882E-01
      3.68933000E+00         1.34729464E+00
Pd    D
      2.01934000E+00         1.00000000E+00
Pd    D
      1.07176000E+00         1.00000000E+00
Pd    D
      5.51662000E-01         1.00000000E+00
Pd    D
      2.73933000E-01         1.00000000E+00
Pd    D
      1.30111000E-01         1.00000000E+00
Pd    D
      5.74730000E-02         1.00000000E+00
Pd    D
      2.540000E-02           1.000000E+00
Pd    F
      6.15830000E+00         1.00000000E+00
Pd    F
      2.67200000E+00         1.00000000E+00
Pd    F
      1.15930000E+00         1.00000000E+00
Pd    F
      4.22600000E-01         1.00000000E+00
Pd    F
      1.540000E-01           1.000000E+00
Pd    G
      3.53540000E+00         1.00000000E+00
Pd    G
      1.80900000E+00         1.00000000E+00
Pd    G
      7.80100000E-01         1.00000000E+00
Pd    G
      3.364000E-01           1.000000E+00
Pd    H
      3.36080000E+00         1.00000000E+00
Pd    H
      1.53070000E+00         1.00000000E+00
Pd    H
      6.971000E-01           1.000000E+00
end


ecp "Pd_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Ag    S
      8.12314000E+03         6.33947635E-05
      1.21335000E+03         4.59336784E-04
      2.68339000E+02         1.75629095E-03
      3.77949000E+01         5.43671191E-02
      2.35569000E+01        -4.33256378E-01
      1.46887000E+01         1.36439658E+00
Ag    S
      6.85501000E+00         1.00000000E+00
Ag    S
      4.15010000E+00         1.00000000E+00
Ag    S
      1.96708000E+00         1.00000000E+00
Ag    S
      1.05558000E+00         1.00000000E+00
Ag    S
      5.35691000E-01         1.00000000E+00
Ag    S
      1.71434000E-01         1.00000000E+00
Ag    S
      7.51230000E-02         1.00000000E+00
Ag    S
      3.27140000E-02         1.00000000E+00
Ag    S
      1.420000E-02           1.000000E+00
Ag    P
      9.95339000E+01         1.40377942E-03
      2.43926000E+01        -4.14090974E-02
      1.52691000E+01         3.00068631E-01
      7.38950000E+00        -1.22018136E+00
Ag    P
      2.18914000E+00         1.00000000E+00
Ag    P
      1.16413000E+00         1.00000000E+00
Ag    P
      6.13660000E-01         1.00000000E+00
Ag    P
      3.06608000E-01         1.00000000E+00
Ag    P
      1.36346000E-01         1.00000000E+00
Ag    P
      6.09370000E-02         1.00000000E+00
Ag    P
      2.69680000E-02         1.00000000E+00
Ag    P
      1.190000E-02           1.000000E+00
Ag    D
      9.42866000E+01         5.83375615E-03
      2.60504000E+01         5.21856005E-02
      8.53321000E+00        -5.09806646E-01
      4.13930000E+00         1.35434361E+00
Ag    D
      2.36760000E+00         1.00000000E+00
Ag    D
      1.29343000E+00         1.00000000E+00
Ag    D
      6.85469000E-01         1.00000000E+00
Ag    D
      3.51150000E-01         1.00000000E+00
Ag    D
      1.72277000E-01         1.00000000E+00
Ag    D
      7.88950000E-02         1.00000000E+00
Ag    D
      3.610000E-02           1.000000E+00
Ag    F
      6.88350000E+00         1.00000000E+00
Ag    F
      3.00220000E+00         1.00000000E+00
Ag    F
      1.30940000E+00         1.00000000E+00
Ag    F
      4.84400000E-01         1.00000000E+00
Ag    F
      1.792000E-01           1.000000E+00
Ag    G
      3.88650000E+00         1.00000000E+00
Ag    G
      2.04460000E+00         1.00000000E+00
Ag    G
      9.06700000E-01         1.00000000E+00
Ag    G
      4.021000E-01           1.000000E+00
Ag    H
      3.69860000E+00         1.00000000E+00
Ag    H
      1.74230000E+00         1.00000000E+00
Ag    H
      8.207000E-01           1.000000E+00
end


ecp "Ag_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Cd    S
      8.79300000E+03         7.85124729E-05
      1.30435000E+03         5.76784436E-04
      2.86930000E+02         2.22079044E-03
      4.09458000E+01         5.83870822E-02
      2.54342000E+01        -4.44331245E-01
      1.58264000E+01         1.37125577E+00
Cd    S
      7.09153000E+00         1.00000000E+00
Cd    S
      4.41355000E+00         1.00000000E+00
Cd    S
      1.97785000E+00         1.00000000E+00
Cd    S
      1.05959000E+00         1.00000000E+00
Cd    S
      5.42877000E-01         1.00000000E+00
Cd    S
      1.79001000E-01         1.00000000E+00
Cd    S
      7.75800000E-02         1.00000000E+00
Cd    S
      3.36320000E-02         1.00000000E+00
Cd    S
      1.460000E-02           1.000000E+00
Cd    P
      1.20189500E+02         1.44976399E-03
      2.79530000E+01        -3.04551117E-02
      1.75012000E+01         2.28101236E-01
      7.82160000E+00        -1.16264025E+00
Cd    P
      2.32315000E+00         1.00000000E+00
Cd    P
      1.23109000E+00         1.00000000E+00
Cd    P
      6.48623000E-01         1.00000000E+00
Cd    P
      3.25194000E-01         1.00000000E+00
Cd    P
      1.42524000E-01         1.00000000E+00
Cd    P
      6.30880000E-02         1.00000000E+00
Cd    P
      2.76800000E-02         1.00000000E+00
Cd    P
      1.210000E-02           1.000000E+00
Cd    D
      1.05330000E+02         6.83858545E-03
      2.93090000E+01         5.98203535E-02
      9.53239000E+00        -5.10982789E-01
      4.77961000E+00         1.36463167E+00
Cd    D
      2.66133000E+00         1.00000000E+00
Cd    D
      1.44574000E+00         1.00000000E+00
Cd    D
      7.68330000E-01         1.00000000E+00
Cd    D
      3.98539000E-01         1.00000000E+00
Cd    D
      1.99900000E-01         1.00000000E+00
Cd    D
      9.42680000E-02         1.00000000E+00
Cd    D
      4.450000E-02           1.000000E+00
Cd    F
      7.70190000E+00         1.00000000E+00
Cd    F
      3.36720000E+00         1.00000000E+00
Cd    F
      1.47210000E+00         1.00000000E+00
Cd    F
      5.52300000E-01         1.00000000E+00
Cd    F
      2.072000E-01           1.000000E+00
Cd    G
      4.30950000E+00         1.00000000E+00
Cd    G
      2.29160000E+00         1.00000000E+00
Cd    G
      1.03710000E+00         1.00000000E+00
Cd    G
      4.694000E-01           1.000000E+00
Cd    H
      4.08920000E+00         1.00000000E+00
Cd    H
      1.97830000E+00         1.00000000E+00
Cd    H
      9.571000E-01           1.000000E+00
end


ecp "Cd_aug-seg-cc-pwCVQZ-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 "Hf_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Hf    S
      3.54013000E+00         1.00000000E+00
Hf    S
      7.24389000E+01         1.33078445E-02
      4.52162000E+01        -1.31178959E-01
      2.82220000E+01         8.46392643E-01
      1.76385000E+01        -3.71064586E+00
      1.10226000E+01         8.44009132E+00
      6.88490000E+00        -5.64169076E+00
Hf    S
      1.91143000E+00         1.00000000E+00
Hf    S
      1.11084000E+00         1.00000000E+00
Hf    S
      6.21072000E-01         1.00000000E+00
Hf    S
      3.31736000E-01         1.00000000E+00
Hf    S
      1.18580000E-01         1.00000000E+00
Hf    S
      5.48520000E-02         1.00000000E+00
Hf    S
      2.51920000E-02         1.00000000E+00
Hf    S
      1.160000E-02           1.000000E+00
Hf    P
      2.75515000E+01         1.94076408E-02
      1.72296000E+01        -1.64701708E-01
      1.07808000E+01         5.22291876E-01
      4.83795000E+00        -1.31676770E+00
Hf    P
      1.19140000E+00         1.00000000E+00
Hf    P
      6.00708000E-01         1.00000000E+00
Hf    P
      3.07411000E-01         1.00000000E+00
Hf    P
      1.56227000E-01         1.00000000E+00
Hf    P
      7.60330000E-02         1.00000000E+00
Hf    P
      3.73420000E-02         1.00000000E+00
Hf    P
      1.81300000E-02         1.00000000E+00
Hf    P
      8.800000E-03           1.000000E+00
Hf    D
      4.72322000E+01         3.82012730E-04
      1.31047000E+01        -1.97073626E-02
      7.50501000E+00         3.48530438E-01
      4.51806000E+00        -1.28940532E+00
Hf    D
      1.26696000E+00         1.00000000E+00
Hf    D
      6.27116000E-01         1.00000000E+00
Hf    D
      3.01560000E-01         1.00000000E+00
Hf    D
      1.41160000E-01         1.00000000E+00
Hf    D
      6.42070000E-02         1.00000000E+00
Hf    D
      2.77910000E-02         1.00000000E+00
Hf    D
      1.200000E-02           1.000000E+00
Hf    F
      1.45970000E+00         1.00000000E+00
Hf    F
      6.79000000E-01         1.00000000E+00
Hf    F
      3.15800000E-01         1.00000000E+00
Hf    F
      1.07900000E-01         1.00000000E+00
Hf    F
      3.690000E-02           1.000000E+00
Hf    G
      1.61900000E+00         1.00000000E+00
Hf    G
      6.79900000E-01         1.00000000E+00
Hf    G
      2.22600000E-01         1.00000000E+00
Hf    G
      7.290000E-02           1.000000E+00
Hf    H
      1.36020000E+00         1.00000000E+00
Hf    H
      4.28200000E-01         1.00000000E+00
Hf    H
      1.348000E-01           1.000000E+00
end


ecp "Hf_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (12s,10p,9d,4f,3g,1h) -> [8s,8p,7d,4f,3g,1h]
Ta    S
      2.71236000E+01        -5.20014274E-02
      1.69695000E+01         4.28171011E-01
      1.06228000E+01        -1.25931149E+00
      6.64493000E+00         1.04168853E+00
      3.59480000E+00         7.85849704E-01
Ta    S
      2.24675000E+00         1.00000000E+00
Ta    S
      1.05044000E+00         1.00000000E+00
Ta    S
      4.92835000E-01         1.00000000E+00
Ta    S
      1.48736000E-01         1.00000000E+00
Ta    S
      7.22280000E-02         1.00000000E+00
Ta    S
      3.09970000E-02         1.00000000E+00
Ta    S
      1.240000E-02           1.000000E+00
Ta    P
      1.55273000E+01        -1.10423585E-01
      9.72593000E+00         6.29424238E-01
      5.23803000E+00        -1.45838974E+00
Ta    P
      1.22702000E+00         1.00000000E+00
Ta    P
      6.05381000E-01         1.00000000E+00
Ta    P
      2.96314000E-01         1.00000000E+00
Ta    P
      1.30511000E-01         1.00000000E+00
Ta    P
      5.71160000E-02         1.00000000E+00
Ta    P
      2.46790000E-02         1.00000000E+00
Ta    P
      9.300000E-03           1.000000E+00
Ta    D
      1.21917000E+01        -3.33490408E-02
      7.61613000E+00         4.35075840E-01
      4.75954000E+00        -1.35960013E+00
Ta    D
      1.27590000E+00         1.00000000E+00
Ta    D
      5.92946000E-01         1.00000000E+00
Ta    D
      2.64287000E-01         1.00000000E+00
Ta    D
      1.12495000E-01         1.00000000E+00
Ta    D
      4.47800000E-02         1.00000000E+00
Ta    D
      1.500000E-02           1.000000E+00
Ta    F
      1.35460000E+00         1.00000000E+00
Ta    F
      6.14200000E-01         1.00000000E+00
Ta    F
      2.08600000E-01         1.00000000E+00
Ta    F
      4.970000E-02           1.000000E+00
Ta    G
      1.42500000E+00         1.00000000E+00
Ta    G
      4.78000000E-01         1.00000000E+00
Ta    G
      1.016000E-01           1.000000E+00
Ta    H
      1.934000E-01           1.000000E+00
end


ecp "Ta_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
W    S
      3.86708000E+00         1.00000000E+00
W    S
      7.71195000E+01         1.10895909E-02
      4.81958000E+01        -1.08440438E-01
      3.01187000E+01         7.20709198E-01
      1.87768000E+01        -3.36546812E+00
      1.17358000E+01         8.00702723E+00
      7.27887000E+00        -5.39082029E+00
W    S
      1.91273000E+00         1.00000000E+00
W    S
      1.18044000E+00         1.00000000E+00
W    S
      6.47510000E-01         1.00000000E+00
W    S
      3.43203000E-01         1.00000000E+00
W    S
      1.41245000E-01         1.00000000E+00
W    S
      6.40210000E-02         1.00000000E+00
W    S
      2.89530000E-02         1.00000000E+00
W    S
      1.310000E-02           1.000000E+00
W    P
      2.97849000E+01         1.82303751E-02
      1.86260000E+01        -1.58344935E-01
      1.16544000E+01         5.18690512E-01
      5.30657000E+00        -1.31966585E+00
W    P
      1.33220000E+00         1.00000000E+00
W    P
      6.79355000E-01         1.00000000E+00
W    P
      3.47522000E-01         1.00000000E+00
W    P
      1.73615000E-01         1.00000000E+00
W    P
      8.47170000E-02         1.00000000E+00
W    P
      4.14500000E-02         1.00000000E+00
W    P
      2.00010000E-02         1.00000000E+00
W    P
      9.700000E-03           1.000000E+00
W    D
      4.76003000E+01         5.34251648E-04
      1.45420000E+01        -4.13316502E-02
      9.08132000E+00         3.54322169E-01
      5.09974000E+00        -1.26989998E+00
W    D
      1.49629000E+00         1.00000000E+00
W    D
      7.68981000E-01         1.00000000E+00
W    D
      3.84255000E-01         1.00000000E+00
W    D
      1.85638000E-01         1.00000000E+00
W    D
      8.62530000E-02         1.00000000E+00
W    D
      3.75810000E-02         1.00000000E+00
W    D
      1.640000E-02           1.000000E+00
W    F
      1.70140000E+00         1.00000000E+00
W    F
      8.80100000E-01         1.00000000E+00
W    F
      4.55200000E-01         1.00000000E+00
W    F
      1.69200000E-01         1.00000000E+00
W    F
      6.290000E-02           1.000000E+00
W    G
      2.01860000E+00         1.00000000E+00
W    G
      9.36300000E-01         1.00000000E+00
W    G
      3.53300000E-01         1.00000000E+00
W    G
      1.333000E-01           1.000000E+00
W    H
      1.81090000E+00         1.00000000E+00
W    H
      6.83400000E-01         1.00000000E+00
W    H
      2.579000E-01           1.000000E+00
end


ecp "W_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Re    S
      8.23602000E+01         7.43822639E-03
      5.14686000E+01        -7.54742057E-02
      3.21603000E+01         5.42471623E-01
      2.00660000E+01        -2.66666830E+00
      1.24622000E+01         6.44765335E+00
      7.51800000E+00        -3.75726440E+00
Re    S
      4.15068000E+00         1.00000000E+00
Re    S
      1.96434000E+00         1.00000000E+00
Re    S
      1.22700000E+00         1.00000000E+00
Re    S
      6.57153000E-01         1.00000000E+00
Re    S
      3.38702000E-01         1.00000000E+00
Re    S
      1.44120000E-01         1.00000000E+00
Re    S
      6.49710000E-02         1.00000000E+00
Re    S
      2.95140000E-02         1.00000000E+00
Re    S
      1.340000E-02           1.000000E+00
Re    P
      3.24690000E+01         1.27392210E-02
      2.02970000E+01        -1.11118882E-01
      1.26941000E+01         3.70938431E-01
      5.28697000E+00        -1.22188811E+00
Re    P
      1.42024000E+00         1.00000000E+00
Re    P
      7.34301000E-01         1.00000000E+00
Re    P
      3.81046000E-01         1.00000000E+00
Re    P
      1.97146000E-01         1.00000000E+00
Re    P
      9.52250000E-02         1.00000000E+00
Re    P
      4.59080000E-02         1.00000000E+00
Re    P
      2.17670000E-02         1.00000000E+00
Re    P
      1.030000E-02           1.000000E+00
Re    D
      4.77382000E+01         7.44838873E-04
      1.50360000E+01        -2.22032921E-02
      9.38759000E+00         2.56082698E-01
      5.16098000E+00        -1.19904871E+00
Re    D
      1.60275000E+00         1.00000000E+00
Re    D
      8.34315000E-01         1.00000000E+00
Re    D
      4.20726000E-01         1.00000000E+00
Re    D
      2.04755000E-01         1.00000000E+00
Re    D
      9.57060000E-02         1.00000000E+00
Re    D
      4.19030000E-02         1.00000000E+00
Re    D
      1.830000E-02           1.000000E+00
Re    F
      1.84400000E+00         1.00000000E+00
Re    F
      9.79300000E-01         1.00000000E+00
Re    F
      5.20100000E-01         1.00000000E+00
Re    F
      1.94500000E-01         1.00000000E+00
Re    F
      7.280000E-02           1.000000E+00
Re    G
      2.21370000E+00         1.00000000E+00
Re    G
      1.04970000E+00         1.00000000E+00
Re    G
      4.13300000E-01         1.00000000E+00
Re    G
      1.628000E-01           1.000000E+00
Re    H
      2.00780000E+00         1.00000000E+00
Re    H
      8.08700000E-01         1.00000000E+00
Re    H
      3.257000E-01           1.000000E+00
end


ecp "Re_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Os    S
      8.82006000E+01         7.61793025E-03
      5.51180000E+01        -6.81026366E-02
      3.44482000E+01         4.70170023E-01
      2.15217000E+01        -2.27186544E+00
      1.34044000E+01         5.15954939E+00
      7.08022000E+00        -2.83523385E+00
Os    S
      4.33535000E+00         1.00000000E+00
Os    S
      2.66460000E+00         1.00000000E+00
Os    S
      1.32010000E+00         1.00000000E+00
Os    S
      7.03086000E-01         1.00000000E+00
Os    S
      3.58507000E-01         1.00000000E+00
Os    S
      1.56757000E-01         1.00000000E+00
Os    S
      7.04870000E-02         1.00000000E+00
Os    S
      3.18370000E-02         1.00000000E+00
Os    S
      1.440000E-02           1.000000E+00
Os    P
      3.44538000E+01         1.10599676E-02
      2.15352000E+01        -9.63900401E-02
      1.34667000E+01         3.25168147E-01
      5.42124000E+00        -1.19231296E+00
Os    P
      1.50720000E+00         1.00000000E+00
Os    P
      7.85212000E-01         1.00000000E+00
Os    P
      4.10112000E-01         1.00000000E+00
Os    P
      2.13135000E-01         1.00000000E+00
Os    P
      1.00773000E-01         1.00000000E+00
Os    P
      4.75860000E-02         1.00000000E+00
Os    P
      2.21800000E-02         1.00000000E+00
Os    P
      1.030000E-02           1.000000E+00
Os    D
      4.61455000E+01         1.25233515E-03
      1.74458000E+01        -1.90935735E-02
      1.08908000E+01         1.82114940E-01
      5.40104000E+00        -1.13258287E+00
Os    D
      1.70494000E+00         1.00000000E+00
Os    D
      8.97325000E-01         1.00000000E+00
Os    D
      4.56130000E-01         1.00000000E+00
Os    D
      2.23257000E-01         1.00000000E+00
Os    D
      1.04833000E-01         1.00000000E+00
Os    D
      4.61230000E-02         1.00000000E+00
Os    D
      2.030000E-02           1.000000E+00
Os    F
      1.99570000E+00         1.00000000E+00
Os    F
      1.09260000E+00         1.00000000E+00
Os    F
      5.98200000E-01         1.00000000E+00
Os    F
      2.26800000E-01         1.00000000E+00
Os    F
      8.600000E-02           1.000000E+00
Os    G
      2.41800000E+00         1.00000000E+00
Os    G
      1.16820000E+00         1.00000000E+00
Os    G
      4.75900000E-01         1.00000000E+00
Os    G
      1.939000E-01           1.000000E+00
Os    H
      2.18860000E+00         1.00000000E+00
Os    H
      9.16400000E-01         1.00000000E+00
Os    H
      3.837000E-01           1.000000E+00
end


ecp "Os_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Ir    S
      9.93982000E+01         4.95300747E-03
      5.97348000E+01        -4.96670228E-02
      3.73064000E+01         3.40723416E-01
      2.33112000E+01        -1.53854370E+00
      1.34959000E+01         4.24902472E+00
      7.60498000E+00        -2.32651439E+00
Ir    S
      4.53133000E+00         1.00000000E+00
Ir    S
      2.30871000E+00         1.00000000E+00
Ir    S
      1.36011000E+00         1.00000000E+00
Ir    S
      7.32298000E-01         1.00000000E+00
Ir    S
      3.81352000E-01         1.00000000E+00
Ir    S
      1.64030000E-01         1.00000000E+00
Ir    S
      7.37290000E-02         1.00000000E+00
Ir    S
      3.31980000E-02         1.00000000E+00
Ir    S
      1.490000E-02           1.000000E+00
Ir    P
      3.64097000E+01         1.00069411E-02
      2.27558000E+01        -8.65200040E-02
      1.42284000E+01         2.94624132E-01
      5.59609000E+00        -1.17301724E+00
Ir    P
      1.59730000E+00         1.00000000E+00
Ir    P
      8.37888000E-01         1.00000000E+00
Ir    P
      4.41129000E-01         1.00000000E+00
Ir    P
      2.34466000E-01         1.00000000E+00
Ir    P
      1.11515000E-01         1.00000000E+00
Ir    P
      5.28360000E-02         1.00000000E+00
Ir    P
      2.46160000E-02         1.00000000E+00
Ir    P
      1.150000E-02           1.000000E+00
Ir    D
      5.29731000E+01         1.25289833E-03
      1.90521000E+01        -1.57792557E-02
      1.18598000E+01         1.60534407E-01
      5.71860000E+00        -1.11569688E+00
Ir    D
      1.80575000E+00         1.00000000E+00
Ir    D
      9.57162000E-01         1.00000000E+00
Ir    D
      4.90166000E-01         1.00000000E+00
Ir    D
      2.41641000E-01         1.00000000E+00
Ir    D
      1.14204000E-01         1.00000000E+00
Ir    D
      5.05400000E-02         1.00000000E+00
Ir    D
      2.240000E-02           1.000000E+00
Ir    F
      2.14580000E+00         1.00000000E+00
Ir    F
      1.20860000E+00         1.00000000E+00
Ir    F
      6.80700000E-01         1.00000000E+00
Ir    F
      2.61000000E-01         1.00000000E+00
Ir    F
      1.001000E-01           1.000000E+00
Ir    G
      2.62980000E+00         1.00000000E+00
Ir    G
      1.29620000E+00         1.00000000E+00
Ir    G
      5.44200000E-01         1.00000000E+00
Ir    G
      2.285000E-01           1.000000E+00
Ir    H
      2.37600000E+00         1.00000000E+00
Ir    H
      1.03300000E+00         1.00000000E+00
Ir    H
      4.491000E-01           1.000000E+00
end


ecp "Ir_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,12p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Pt    S
      1.03612000E+02         4.48723166E-03
      6.46859000E+01        -3.62268752E-02
      3.98400000E+01         2.37282206E-01
      2.49011000E+01        -1.03137486E+00
      1.40033000E+01         3.01736015E+00
      7.89090000E+00        -1.33762572E+00
Pt    S
      4.84560000E+00         1.00000000E+00
Pt    S
      2.35012000E+00         1.00000000E+00
Pt    S
      1.46717000E+00         1.00000000E+00
Pt    S
      7.80671000E-01         1.00000000E+00
Pt    S
      3.94696000E-01         1.00000000E+00
Pt    S
      1.75323000E-01         1.00000000E+00
Pt    S
      7.88420000E-02         1.00000000E+00
Pt    S
      3.53890000E-02         1.00000000E+00
Pt    S
      1.590000E-02           1.000000E+00
Pt    P
      3.79380000E+01         9.39964442E-03
      2.37097000E+01        -8.09897684E-02
      1.48236000E+01         2.79729803E-01
      5.79046000E+00        -1.16450831E+00
Pt    P
      1.69556000E+00         1.00000000E+00
Pt    P
      8.98494000E-01         1.00000000E+00
Pt    P
      4.79188000E-01         1.00000000E+00
Pt    P
      2.56592000E-01         1.00000000E+00
Pt    P
      1.17093000E-01         1.00000000E+00
Pt    P
      5.36550000E-02         1.00000000E+00
Pt    P
      2.43160000E-02         1.00000000E+00
Pt    P
      1.100000E-02           1.000000E+00
Pt    D
      6.44513000E+01         1.23856472E-03
      1.93509000E+01        -9.17995031E-03
      1.20833000E+01         1.51250610E-01
      5.95498000E+00        -1.11359719E+00
Pt    D
      1.91737000E+00         1.00000000E+00
Pt    D
      1.02497000E+00         1.00000000E+00
Pt    D
      5.29513000E-01         1.00000000E+00
Pt    D
      2.63306000E-01         1.00000000E+00
Pt    D
      1.25354000E-01         1.00000000E+00
Pt    D
      5.58110000E-02         1.00000000E+00
Pt    D
      2.480000E-02           1.000000E+00
Pt    F
      2.30270000E+00         1.00000000E+00
Pt    F
      1.32740000E+00         1.00000000E+00
Pt    F
      7.65200000E-01         1.00000000E+00
Pt    F
      2.95800000E-01         1.00000000E+00
Pt    F
      1.143000E-01           1.000000E+00
Pt    G
      2.84780000E+00         1.00000000E+00
Pt    G
      1.42910000E+00         1.00000000E+00
Pt    G
      6.16600000E-01         1.00000000E+00
Pt    G
      2.661000E-01           1.000000E+00
Pt    H
      2.56100000E+00         1.00000000E+00
Pt    H
      1.14980000E+00         1.00000000E+00
Pt    H
      5.162000E-01           1.000000E+00
end


ecp "Pt_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (14s,11p,10d,4f,3g,2h) -> [9s,8p,7d,4f,3g,2h]
Au    S
      1.40384000E+03         2.97246368E-05
      9.88655000E+01         2.56534741E-03
      6.16103000E+01        -2.05722676E-02
      3.84670000E+01         1.33131726E-01
      2.40230000E+01        -6.41429636E-01
      1.49251000E+01         1.50686515E+00
Au    S
      7.39795000E+00         1.00000000E+00
Au    S
      4.62192000E+00         1.00000000E+00
Au    S
      1.71961000E+00         1.00000000E+00
Au    S
      9.55604000E-01         1.00000000E+00
Au    S
      4.95584000E-01         1.00000000E+00
Au    S
      2.03770000E-01         1.00000000E+00
Au    S
      8.83320000E-02         1.00000000E+00
Au    S
      3.83800000E-02         1.00000000E+00
Au    P
      3.82384000E+01         1.03646834E-02
      2.38975000E+01        -8.64538450E-02
      1.49411000E+01         3.03676260E-01
      6.09746000E+00        -1.18342765E+00
Au    P
      1.77645000E+00         1.00000000E+00
Au    P
      9.43333000E-01         1.00000000E+00
Au    P
      5.07586000E-01         1.00000000E+00
Au    P
      2.78819000E-01         1.00000000E+00
Au    P
      1.26561000E-01         1.00000000E+00
Au    P
      5.76300000E-02         1.00000000E+00
Au    P
      2.58940000E-02         1.00000000E+00
Au    D
      6.38112000E+01         1.35572531E-03
      2.07582000E+01        -1.26760317E-02
      1.29143000E+01         1.61280472E-01
      6.35571000E+00        -1.11938850E+00
Au    D
      2.07087000E+00         1.00000000E+00
Au    D
      1.13769000E+00         1.00000000E+00
Au    D
      6.06778000E-01         1.00000000E+00
Au    D
      3.12442000E-01         1.00000000E+00
Au    D
      1.54044000E-01         1.00000000E+00
Au    D
      7.11190000E-02         1.00000000E+00
Au    F
      2.57740000E+00         1.00000000E+00
Au    F
      1.49350000E+00         1.00000000E+00
Au    F
      8.65400000E-01         1.00000000E+00
Au    F
      3.38400000E-01         1.00000000E+00
Au    G
      3.03680000E+00         1.00000000E+00
Au    G
      1.57750000E+00         1.00000000E+00
Au    G
      7.01800000E-01         1.00000000E+00
Au    H
      2.74770000E+00         1.00000000E+00
Au    H
      1.26720000E+00         1.00000000E+00
end


ecp "Au_aug-seg-cc-pwCVQZ-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_aug-seg-cc-pwCVQZ-PP" SPHERICAL 
#basis SET: (15s,13p,11d,5f,4g,3h) -> [10s,9p,8d,5f,4g,3h]
Hg    S
      8.63081000E+03         2.67283596E-05
      1.28326000E+03         1.92890700E-04
      2.83307000E+02         7.22552848E-04
      3.46635000E+01         4.29250703E-02
      2.15638000E+01        -3.92330881E-01
      1.34091000E+01         1.33554819E+00
Hg    S
      7.82027000E+00         1.00000000E+00
Hg    S
      4.88534000E+00         1.00000000E+00
Hg    S
      1.76714000E+00         1.00000000E+00
Hg    S
      9.64921000E-01         1.00000000E+00
Hg    S
      4.91862000E-01         1.00000000E+00
Hg    S
      2.11477000E-01         1.00000000E+00
Hg    S
      9.13810000E-02         1.00000000E+00
Hg    S
      3.96610000E-02         1.00000000E+00
Hg    S
      1.720000E-02           1.000000E+00
Hg    P
      3.82938000E+01         1.05118392E-02
      2.39271000E+01        -8.47196130E-02
      1.49555000E+01         3.09989800E-01
      6.31536000E+00        -1.19259821E+00
Hg    P
      2.84560000E+00         1.00000000E+00
Hg    P
      1.89775000E+00         1.00000000E+00
Hg    P
      1.02149000E+00         7.19998271E-01
      5.51879000E-01         3.03799128E-01
Hg    P
      2.92697000E-01         1.00000000E+00
Hg    P
      1.30492000E-01         1.00000000E+00
Hg    P
      5.86130000E-02         1.00000000E+00
Hg    P
      2.60970000E-02         1.00000000E+00
Hg    P
      1.160000E-02           1.000000E+00
Hg    D
      7.01490000E+01         1.44856611E-03
      2.16955000E+01        -1.02731642E-02
      1.34986000E+01         1.59641975E-01
      6.70478000E+00        -1.12007461E+00
Hg    D
      2.19200000E+00         1.00000000E+00
Hg    D
      1.21715000E+00         1.00000000E+00
Hg    D
      6.60971000E-01         1.00000000E+00
Hg    D
      3.48882000E-01         1.00000000E+00
Hg    D
      1.77063000E-01         1.00000000E+00
Hg    D
      8.42580000E-02         1.00000000E+00
Hg    D
      4.010000E-02           1.000000E+00
Hg    F
      2.77090000E+00         1.00000000E+00
Hg    F
      1.64290000E+00         1.00000000E+00
Hg    F
      9.74100000E-01         1.00000000E+00
Hg    F
      3.80400000E-01         1.00000000E+00
Hg    F
      1.486000E-01           1.000000E+00
Hg    G
      3.26980000E+00         1.00000000E+00
Hg    G
      1.72190000E+00         1.00000000E+00
Hg    G
      7.88000000E-01         1.00000000E+00
Hg    G
      3.606000E-01           1.000000E+00
Hg    H
      2.94000000E+00         1.00000000E+00
Hg    H
      1.38670000E+00         1.00000000E+00
Hg    H
      6.541000E-01           1.000000E+00
end


ecp "Hg_aug-seg-cc-pwCVQZ-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
