# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# seg-cc-pwCVTZ-PP version number 1
# Description: seg-cc-pwCVTZ-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
#      seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (11s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Y    S
      1.21555000E+02         8.61838433E-04
      1.33508000E+01        -7.99166794E-02
      8.34304000E+00         4.49900488E-01
      5.21262000E+00        -3.74110982E-01
      2.84822000E+00        -9.60010806E-01
Y    S
      1.15950000E+00         1.00000000E+00
Y    S
      7.36092000E-01         1.00000000E+00
Y    S
      3.39525000E-01         1.00000000E+00
Y    S
      8.50000000E-02         1.00000000E+00
Y    S
      4.57190000E-02         1.00000000E+00
Y    S
      2.17750000E-02         1.00000000E+00
Y    P
      1.57057000E+01        -7.20293099E-03
      9.81434000E+00         1.31846508E-01
      3.95152000E+00        -1.09553865E+00
Y    P
      1.02873000E+00         1.00000000E+00
Y    P
      5.20341000E-01         1.00000000E+00
Y    P
      2.62806000E-01         1.00000000E+00
Y    P
      1.19127000E-01         1.00000000E+00
Y    P
      5.32630000E-02         1.00000000E+00
Y    P
      2.33840000E-02         1.00000000E+00
Y    D
      1.58535000E+01         1.17723925E-02
      5.08183000E+00        -6.21136111E-02
      1.45095000E+00         1.02995380E+00
Y    D
      6.89277000E-01         1.00000000E+00
Y    D
      3.13342000E-01         1.00000000E+00
Y    D
      1.38383000E-01         1.00000000E+00
Y    D
      5.95550000E-02         1.00000000E+00
Y    D
      2.45030000E-02         1.00000000E+00
Y    F
      1.33250000E+00         1.00000000E+00
Y    F
      4.41800000E-01         1.00000000E+00
Y    F
      1.24800000E-01         1.00000000E+00
Y    G
      1.00340000E+00         1.00000000E+00
Y    G
      2.76900000E-01         1.00000000E+00
end


ecp "Y_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (11s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Zr    S
      1.36826000E+02         8.50965501E-04
      1.45128000E+01        -7.94920931E-02
      9.06981000E+00         4.45501513E-01
      5.66640000E+00        -3.59415515E-01
      3.11319000E+00        -9.70431051E-01
Zr    S
      1.25840000E+00         1.00000000E+00
Zr    S
      8.23482000E-01         1.00000000E+00
Zr    S
      3.81193000E-01         1.00000000E+00
Zr    S
      9.77920000E-02         1.00000000E+00
Zr    S
      5.08390000E-02         1.00000000E+00
Zr    S
      2.36930000E-02         1.00000000E+00
Zr    P
      1.74119000E+01        -8.08379957E-03
      1.08799000E+01         1.31021786E-01
      4.32804000E+00        -1.09380710E+00
Zr    P
      1.13864000E+00         1.00000000E+00
Zr    P
      5.75855000E-01         1.00000000E+00
Zr    P
      2.88670000E-01         1.00000000E+00
Zr    P
      1.28014000E-01         1.00000000E+00
Zr    P
      5.52900000E-02         1.00000000E+00
Zr    P
      2.36130000E-02         1.00000000E+00
Zr    D
      1.80732000E+01         1.28441928E-02
      5.21959000E+00        -9.32188962E-02
      1.69985000E+00         1.05114127E+00
Zr    D
      8.36323000E-01         1.00000000E+00
Zr    D
      3.93354000E-01         1.00000000E+00
Zr    D
      1.78824000E-01         1.00000000E+00
Zr    D
      7.82750000E-02         1.00000000E+00
Zr    D
      3.22480000E-02         1.00000000E+00
Zr    F
      1.70070000E+00         1.00000000E+00
Zr    F
      6.03200000E-01         1.00000000E+00
Zr    F
      1.93100000E-01         1.00000000E+00
Zr    G
      1.32030000E+00         1.00000000E+00
Zr    G
      4.19500000E-01         1.00000000E+00
end


ecp "Zr_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (11s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Nb    S
      1.53071000E+02         8.68879879E-04
      1.56363000E+01        -7.99783617E-02
      9.77218000E+00         4.48359598E-01
      6.10544000E+00        -3.55244807E-01
      3.39090000E+00        -9.76511516E-01
Nb    S
      1.37900000E+00         1.00000000E+00
Nb    S
      9.11676000E-01         1.00000000E+00
Nb    S
      4.22139000E-01         1.00000000E+00
Nb    S
      1.09079000E-01         1.00000000E+00
Nb    S
      5.56240000E-02         1.00000000E+00
Nb    S
      2.55240000E-02         1.00000000E+00
Nb    P
      1.88713000E+01        -9.04497419E-03
      1.17929000E+01         1.35445709E-01
      4.71529000E+00        -1.09681594E+00
Nb    P
      1.25530000E+00         1.00000000E+00
Nb    P
      6.35023000E-01         1.00000000E+00
Nb    P
      3.17595000E-01         1.00000000E+00
Nb    P
      1.41054000E-01         1.00000000E+00
Nb    P
      6.04940000E-02         1.00000000E+00
Nb    P
      2.56300000E-02         1.00000000E+00
Nb    D
      2.08985000E+01         1.34514044E-02
      5.60134000E+00        -9.91973224E-02
      1.93805000E+00         1.05763432E+00
Nb    D
      9.77512000E-01         1.00000000E+00
Nb    D
      4.69796000E-01         1.00000000E+00
Nb    D
      2.17905000E-01         1.00000000E+00
Nb    D
      9.69170000E-02         1.00000000E+00
Nb    D
      4.03560000E-02         1.00000000E+00
Nb    F
      2.10930000E+00         1.00000000E+00
Nb    F
      7.72400000E-01         1.00000000E+00
Nb    F
      2.65200000E-01         1.00000000E+00
Nb    G
      1.66000000E+00         1.00000000E+00
Nb    G
      5.90600000E-01         1.00000000E+00
end


ecp "Nb_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (11s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Mo    S
      1.70069000E+02         8.94146594E-04
      1.67338000E+01        -8.11215217E-02
      1.04587000E+01         4.56602615E-01
      6.53434000E+00        -3.59863255E-01
      3.67935000E+00        -9.78458080E-01
Mo    S
      1.50090000E+00         1.00000000E+00
Mo    S
      1.00192000E+00         1.00000000E+00
Mo    S
      4.63140000E-01         1.00000000E+00
Mo    S
      1.18727000E-01         1.00000000E+00
Mo    S
      5.95140000E-02         1.00000000E+00
Mo    S
      2.70390000E-02         1.00000000E+00
Mo    P
      2.03080000E+01        -9.55365147E-03
      1.26907000E+01         1.39884641E-01
      5.11950000E+00        -1.10030426E+00
Mo    P
      1.37783000E+00         1.00000000E+00
Mo    P
      6.96824000E-01         1.00000000E+00
Mo    P
      3.47367000E-01         1.00000000E+00
Mo    P
      1.52819000E-01         1.00000000E+00
Mo    P
      6.50490000E-02         1.00000000E+00
Mo    P
      2.73390000E-02         1.00000000E+00
Mo    D
      2.26032000E+01         1.35470610E-02
      6.33914000E+00        -1.29018641E-01
      2.17763000E+00         1.07372388E+00
Mo    D
      1.10700000E+00         1.00000000E+00
Mo    D
      5.35372000E-01         1.00000000E+00
Mo    D
      2.48980000E-01         1.00000000E+00
Mo    D
      1.10409000E-01         1.00000000E+00
Mo    D
      4.53770000E-02         1.00000000E+00
Mo    F
      2.51670000E+00         1.00000000E+00
Mo    F
      9.36200000E-01         1.00000000E+00
Mo    F
      3.33200000E-01         1.00000000E+00
Mo    G
      1.94940000E+00         1.00000000E+00
Mo    G
      7.32400000E-01         1.00000000E+00
end


ecp "Mo_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (11s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Tc    S
      1.88509000E+02         9.47816665E-04
      1.78080000E+01        -8.29131193E-02
      1.11310000E+01         4.70405777E-01
      6.95483000E+00        -3.74872575E-01
      3.97640000E+00        -9.74901300E-01
Tc    S
      1.63130000E+00         1.00000000E+00
Tc    S
      1.09381000E+00         1.00000000E+00
Tc    S
      5.04008000E-01         1.00000000E+00
Tc    S
      1.27206000E-01         1.00000000E+00
Tc    S
      6.30470000E-02         1.00000000E+00
Tc    S
      2.84080000E-02         1.00000000E+00
Tc    P
      2.16444000E+01        -9.55251743E-03
      1.35268000E+01         1.45273018E-01
      5.54266000E+00        -1.10519379E+00
Tc    P
      1.50611000E+00         1.00000000E+00
Tc    P
      7.61680000E-01         1.00000000E+00
Tc    P
      3.78366000E-01         1.00000000E+00
Tc    P
      1.63588000E-01         1.00000000E+00
Tc    P
      6.89410000E-02         1.00000000E+00
Tc    P
      2.86740000E-02         1.00000000E+00
Tc    D
      2.53828000E+01         1.33348539E-02
      6.98538000E+00        -1.32263028E-01
      2.41217000E+00         1.07593051E+00
Tc    D
      1.24177000E+00         1.00000000E+00
Tc    D
      6.05242000E-01         1.00000000E+00
Tc    D
      2.82829000E-01         1.00000000E+00
Tc    D
      1.25560000E-01         1.00000000E+00
Tc    D
      5.14850000E-02         1.00000000E+00
Tc    F
      2.93630000E+00         1.00000000E+00
Tc    F
      1.10150000E+00         1.00000000E+00
Tc    F
      4.01500000E-01         1.00000000E+00
Tc    G
      2.22810000E+00         1.00000000E+00
Tc    G
      8.71700000E-01         1.00000000E+00
end


ecp "Tc_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (11s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Ru    S
      2.08250000E+02         9.95549095E-04
      1.88471000E+01        -8.50093332E-02
      1.17818000E+01         4.87968523E-01
      7.36195000E+00        -3.98307033E-01
      4.27771000E+00        -9.66389289E-01
Ru    S
      1.77600000E+00         1.00000000E+00
Ru    S
      1.19107000E+00         1.00000000E+00
Ru    S
      5.48568000E-01         1.00000000E+00
Ru    S
      1.38694000E-01         1.00000000E+00
Ru    S
      6.76510000E-02         1.00000000E+00
Ru    S
      3.01410000E-02         1.00000000E+00
Ru    P
      2.27753000E+01        -9.21210278E-03
      1.42340000E+01         1.53759780E-01
      5.98755000E+00        -1.11331603E+00
Ru    P
      1.63924000E+00         1.00000000E+00
Ru    P
      8.27880000E-01         1.00000000E+00
Ru    P
      4.09010000E-01         1.00000000E+00
Ru    P
      1.71877000E-01         1.00000000E+00
Ru    P
      7.12710000E-02         1.00000000E+00
Ru    P
      2.92260000E-02         1.00000000E+00
Ru    D
      2.58838000E+01         1.53604827E-02
      7.59255000E+00        -1.83176025E-01
      2.71293000E+00         1.10630775E+00
Ru    D
      1.39708000E+00         1.00000000E+00
Ru    D
      6.82565000E-01         1.00000000E+00
Ru    D
      3.19378000E-01         1.00000000E+00
Ru    D
      1.41781000E-01         1.00000000E+00
Ru    D
      5.80170000E-02         1.00000000E+00
Ru    F
      3.37270000E+00         1.00000000E+00
Ru    F
      1.27850000E+00         1.00000000E+00
Ru    F
      4.75400000E-01         1.00000000E+00
Ru    G
      2.53450000E+00         1.00000000E+00
Ru    G
      1.03110000E+00         1.00000000E+00
end


ecp "Ru_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (11s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Rh    S
      2.28932000E+02         1.06713751E-03
      1.99087000E+01        -8.80162038E-02
      1.24468000E+01         5.11543450E-01
      7.77821000E+00        -4.36563335E-01
      4.58006000E+00        -9.48233994E-01
Rh    S
      1.92940000E+00         1.00000000E+00
Rh    S
      1.29068000E+00         1.00000000E+00
Rh    S
      5.93414000E-01         1.00000000E+00
Rh    S
      1.49158000E-01         1.00000000E+00
Rh    S
      7.19530000E-02         1.00000000E+00
Rh    S
      3.17520000E-02         1.00000000E+00
Rh    P
      2.42117000E+01        -9.21953665E-03
      1.51331000E+01         1.58804913E-01
      6.44720000E+00        -1.11792283E+00
Rh    P
      1.77776000E+00         1.00000000E+00
Rh    P
      8.99020000E-01         1.00000000E+00
Rh    P
      4.44522000E-01         1.00000000E+00
Rh    P
      1.88674000E-01         1.00000000E+00
Rh    P
      7.85140000E-02         1.00000000E+00
Rh    P
      3.21950000E-02         1.00000000E+00
Rh    D
      2.94998000E+01         1.80560555E-02
      7.40437000E+00        -1.98530476E-01
      3.05959000E+00         1.13134054E+00
Rh    D
      1.58205000E+00         1.00000000E+00
Rh    D
      7.74834000E-01         1.00000000E+00
Rh    D
      3.63056000E-01         1.00000000E+00
Rh    D
      1.61047000E-01         1.00000000E+00
Rh    D
      6.56200000E-02         1.00000000E+00
Rh    F
      3.86610000E+00         1.00000000E+00
Rh    F
      1.47190000E+00         1.00000000E+00
Rh    F
      5.55300000E-01         1.00000000E+00
Rh    G
      2.83470000E+00         1.00000000E+00
Rh    G
      1.19070000E+00         1.00000000E+00
end


ecp "Rh_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (11s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Pd    S
      2.47202000E+02         1.14543605E-03
      2.07937000E+01        -9.15758491E-02
      1.30019000E+01         5.42459552E-01
      8.12562000E+00        -4.84858609E-01
      4.88842000E+00        -9.26474868E-01
Pd    S
      2.08200000E+00         1.00000000E+00
Pd    S
      1.39206000E+00         1.00000000E+00
Pd    S
      6.38382000E-01         1.00000000E+00
Pd    S
      1.58828000E-01         1.00000000E+00
Pd    S
      7.57930000E-02         1.00000000E+00
Pd    S
      3.31840000E-02         1.00000000E+00
Pd    P
      2.48824000E+01        -9.72382215E-03
      1.55517000E+01         1.78066787E-01
      6.92343000E+00        -1.13536070E+00
Pd    P
      1.92286000E+00         1.00000000E+00
Pd    P
      9.71191000E-01         1.00000000E+00
Pd    P
      4.76919000E-01         1.00000000E+00
Pd    P
      1.93866000E-01         1.00000000E+00
Pd    P
      7.87920000E-02         1.00000000E+00
Pd    P
      3.16530000E-02         1.00000000E+00
Pd    D
      2.90204000E+01         3.43266666E-02
      6.41149000E+00        -7.57936592E-01
      3.99736000E+00         1.63325079E+00
Pd    D
      1.88742000E+00         1.00000000E+00
Pd    D
      9.13208000E-01         1.00000000E+00
Pd    D
      4.25675000E-01         1.00000000E+00
Pd    D
      1.87727000E-01         1.00000000E+00
Pd    D
      7.57900000E-02         1.00000000E+00
Pd    F
      4.33590000E+00         1.00000000E+00
Pd    F
      1.66780000E+00         1.00000000E+00
Pd    F
      6.38400000E-01         1.00000000E+00
Pd    G
      3.14890000E+00         1.00000000E+00
Pd    G
      1.37210000E+00         1.00000000E+00
end


ecp "Pd_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (11s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Ag    S
      2.22645000E+02         1.22569966E-03
      2.01725000E+01        -1.38611579E-01
      1.27197000E+01         7.97864726E-01
      8.00211000E+00        -9.11964904E-01
      5.02053000E+00        -7.03816825E-01
Ag    S
      2.22520000E+00         1.00000000E+00
Ag    S
      1.52085000E+00         1.00000000E+00
Ag    S
      6.94920000E-01         1.00000000E+00
Ag    S
      1.72933000E-01         1.00000000E+00
Ag    S
      8.18970000E-02         1.00000000E+00
Ag    S
      3.51900000E-02         1.00000000E+00
Ag    P
      2.20490000E+01         2.88365792E-02
      1.38356000E+01        -3.74086762E-01
      7.62994000E+00         1.30402480E+00
Ag    P
      2.10372000E+00         1.00000000E+00
Ag    P
      1.06262000E+00         1.00000000E+00
Ag    P
      5.19383000E-01         1.00000000E+00
Ag    P
      2.05199000E-01         1.00000000E+00
Ag    P
      8.29790000E-02         1.00000000E+00
Ag    P
      3.31440000E-02         1.00000000E+00
Ag    D
      7.32665000E+01         3.23725383E-02
      1.87729000E+01         4.29528313E-01
      1.09237000E+01        -1.36151287E+00
Ag    D
      3.00197000E+00         1.00000000E+00
Ag    D
      1.47177000E+00         1.00000000E+00
Ag    D
      6.84764000E-01         1.00000000E+00
Ag    D
      3.00397000E-01         1.00000000E+00
Ag    D
      1.20155000E-01         1.00000000E+00
Ag    F
      4.86980000E+00         1.00000000E+00
Ag    F
      1.88570000E+00         1.00000000E+00
Ag    F
      7.38100000E-01         1.00000000E+00
Ag    G
      3.49900000E+00         1.00000000E+00
Ag    G
      1.57510000E+00         1.00000000E+00
end


ecp "Ag_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (11s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Cd    S
      2.57497000E+02         1.33102616E-03
      2.13546000E+01        -1.34184535E-01
      1.34806000E+01         7.93274838E-01
      8.48651000E+00        -9.28770310E-01
      5.32551000E+00        -6.87210930E-01
Cd    S
      2.38470000E+00         1.00000000E+00
Cd    S
      1.62686000E+00         1.00000000E+00
Cd    S
      7.40469000E-01         1.00000000E+00
Cd    S
      1.80933000E-01         1.00000000E+00
Cd    S
      8.50960000E-02         1.00000000E+00
Cd    S
      3.63840000E-02         1.00000000E+00
Cd    P
      2.43165000E+02         5.90058052E-04
      1.39588000E+01         3.63809952E-01
      8.31001000E+00        -1.32462811E+00
Cd    P
      2.20200000E+00         1.00000000E+00
Cd    P
      1.10072000E+00         1.00000000E+00
Cd    P
      5.35975000E-01         1.00000000E+00
Cd    P
      2.13654000E-01         1.00000000E+00
Cd    P
      8.54690000E-02         1.00000000E+00
Cd    P
      3.38230000E-02         1.00000000E+00
Cd    D
      8.60666000E+01         3.66125626E-02
      2.26386000E+01         4.13730222E-01
      1.21384000E+01        -1.32871370E+00
Cd    D
      3.44081000E+00         1.00000000E+00
Cd    D
      1.71761000E+00         1.00000000E+00
Cd    D
      8.14849000E-01         1.00000000E+00
Cd    D
      3.66007000E-01         1.00000000E+00
Cd    D
      1.50282000E-01         1.00000000E+00
Cd    F
      5.53060000E+00         1.00000000E+00
Cd    F
      2.13610000E+00         1.00000000E+00
Cd    F
      8.50800000E-01         1.00000000E+00
Cd    G
      3.89140000E+00         1.00000000E+00
Cd    G
      1.80190000E+00         1.00000000E+00
end


ecp "Cd_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (10s,10p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Hf    S
      3.46431000E+00         1.00000000E+00
Hf    S
      2.65042000E+01        -2.45439118E-01
      1.65840000E+01         1.97613554E+00
      1.03831000E+01        -5.67470191E+00
      6.49550000E+00         4.57693574E+00
Hf    S
      9.86200000E-01         1.00000000E+00
Hf    S
      4.57828000E-01         1.00000000E+00
Hf    S
      1.32118000E-01         1.00000000E+00
Hf    S
      6.69670000E-02         1.00000000E+00
Hf    S
      2.90100000E-02         1.00000000E+00
Hf    P
      1.61070000E+00         1.00000000E+00
Hf    P
      1.52724000E+01        -6.45955606E-02
      9.57035000E+00         3.49906447E-01
      5.03618000E+00        -8.15424325E-01
      1.15215000E+00         1.23561176E+00
Hf    P
      5.62401000E-01         1.00000000E+00
Hf    P
      2.74204000E-01         1.00000000E+00
Hf    P
      1.20505000E-01         1.00000000E+00
Hf    P
      5.28120000E-02         1.00000000E+00
Hf    P
      2.28910000E-02         1.00000000E+00
Hf    D
      1.19756000E+01        -3.46497361E-02
      7.47998000E+00         4.38584076E-01
      4.67383000E+00        -1.36177214E+00
Hf    D
      1.17503000E+00         1.00000000E+00
Hf    D
      5.28350000E-01         1.00000000E+00
Hf    D
      2.27757000E-01         1.00000000E+00
Hf    D
      9.41690000E-02         1.00000000E+00
Hf    D
      3.66310000E-02         1.00000000E+00
Hf    F
      1.20990000E+00         1.00000000E+00
Hf    F
      5.10600000E-01         1.00000000E+00
Hf    F
      1.60500000E-01         1.00000000E+00
Hf    G
      1.19230000E+00         1.00000000E+00
Hf    G
      3.57900000E-01         1.00000000E+00
end


ecp "Hf_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (10s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Ta    S
      3.59480000E+00         1.00000000E+00
Ta    S
      2.71236000E+01        -2.19396891E-01
      1.69695000E+01         1.80647711E+00
      1.06228000E+01        -5.31310463E+00
      6.64493000E+00         4.39494139E+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    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    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    F
      1.35460000E+00         1.00000000E+00
Ta    F
      6.14200000E-01         1.00000000E+00
Ta    F
      2.08600000E-01         1.00000000E+00
Ta    G
      1.42500000E+00         1.00000000E+00
Ta    G
      4.78000000E-01         1.00000000E+00
end


ecp "Ta_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (10s,10p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
W    S
      3.81506000E+00         1.00000000E+00
W    S
      2.83881000E+01         2.32998247E-01
      1.77568000E+01        -1.97612978E+00
      1.11120000E+01         5.88946242E+00
      6.94934000E+00        -4.70563943E+00
W    S
      1.11249000E+00         1.00000000E+00
W    S
      5.25401000E-01         1.00000000E+00
W    S
      1.61529000E-01         1.00000000E+00
W    S
      7.64090000E-02         1.00000000E+00
W    S
      3.26700000E-02         1.00000000E+00
W    P
      1.84380000E+00         1.00000000E+00
W    P
      1.65554000E+01         6.25613271E-02
      1.03744000E+01        -3.49076010E-01
      5.52190000E+00         8.17004425E-01
      1.28902000E+00        -1.24246008E+00
W    P
      6.35596000E-01         1.00000000E+00
W    P
      3.09645000E-01         1.00000000E+00
W    P
      1.37012000E-01         1.00000000E+00
W    P
      5.99380000E-02         1.00000000E+00
W    P
      2.58750000E-02         1.00000000E+00
W    D
      1.36383000E+01         4.38303638E-02
      8.51734000E+00        -4.89231628E-01
      5.32328000E+00         1.39897237E+00
W    D
      1.39319000E+00         1.00000000E+00
W    D
      6.54307000E-01         1.00000000E+00
W    D
      2.94390000E-01         1.00000000E+00
W    D
      1.25722000E-01         1.00000000E+00
W    D
      4.97170000E-02         1.00000000E+00
W    F
      1.51270000E+00         1.00000000E+00
W    F
      7.18100000E-01         1.00000000E+00
W    F
      2.56000000E-01         1.00000000E+00
W    G
      1.68430000E+00         1.00000000E+00
W    G
      6.20500000E-01         1.00000000E+00
end


ecp "W_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (10s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Re    S
      3.04120000E+01         2.79959115E-01
      1.90142000E+01        -2.39543154E+00
      1.18921000E+01         7.04013890E+00
      7.43361000E+00        -4.65798662E+00
Re    S
      4.18113000E+00         1.00000000E+00
Re    S
      1.16857000E+00         1.00000000E+00
Re    S
      5.53977000E-01         1.00000000E+00
Re    S
      1.70781000E-01         1.00000000E+00
Re    S
      7.92870000E-02         1.00000000E+00
Re    S
      3.39090000E-02         1.00000000E+00
Re    P
      1.83488000E+01        -7.42748218E-02
      1.14877000E+01         4.08914207E-01
      5.43256000E+00        -1.28244103E+00
Re    P
      1.37859000E+00         1.00000000E+00
Re    P
      6.88766000E-01         1.00000000E+00
Re    P
      3.38083000E-01         1.00000000E+00
Re    P
      1.49160000E-01         1.00000000E+00
Re    P
      6.43210000E-02         1.00000000E+00
Re    P
      2.73440000E-02         1.00000000E+00
Re    D
      1.38248000E+01        -1.87985431E-02
      8.63586000E+00         3.72059133E-01
      5.39695000E+00        -1.31489691E+00
Re    D
      1.49432000E+00         1.00000000E+00
Re    D
      7.13479000E-01         1.00000000E+00
Re    D
      3.24910000E-01         1.00000000E+00
Re    D
      1.39836000E-01         1.00000000E+00
Re    D
      5.55530000E-02         1.00000000E+00
Re    F
      1.65430000E+00         1.00000000E+00
Re    F
      8.08800000E-01         1.00000000E+00
Re    F
      2.93900000E-01         1.00000000E+00
Re    G
      1.88710000E+00         1.00000000E+00
Re    G
      7.36800000E-01         1.00000000E+00
end


ecp "Re_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (10s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Os    S
      3.23055000E+01         1.95481596E-01
      2.01934000E+01        -1.69703627E+00
      1.26258000E+01         4.93981113E+00
      7.89021000E+00        -2.69151905E+00
Os    S
      4.46183000E+00         1.00000000E+00
Os    S
      1.23613000E+00         1.00000000E+00
Os    S
      5.88830000E-01         1.00000000E+00
Os    S
      1.83261000E-01         1.00000000E+00
Os    S
      8.39720000E-02         1.00000000E+00
Os    S
      3.58740000E-02         1.00000000E+00
Os    P
      1.95631000E+01        -6.36011002E-02
      1.22451000E+01         3.51842774E-01
      5.55342000E+00        -1.23929606E+00
Os    P
      1.46284000E+00         1.00000000E+00
Os    P
      7.34537000E-01         1.00000000E+00
Os    P
      3.60575000E-01         1.00000000E+00
Os    P
      1.56691000E-01         1.00000000E+00
Os    P
      6.63330000E-02         1.00000000E+00
Os    P
      2.77460000E-02         1.00000000E+00
Os    D
      1.46857000E+01        -5.14284543E-03
      9.17124000E+00         3.15338634E-01
      5.72992000E+00        -1.27469917E+00
Os    D
      1.58756000E+00         1.00000000E+00
Os    D
      7.67269000E-01         1.00000000E+00
Os    D
      3.52839000E-01         1.00000000E+00
Os    D
      1.53036000E-01         1.00000000E+00
Os    D
      6.12280000E-02         1.00000000E+00
Os    F
      1.80270000E+00         1.00000000E+00
Os    F
      9.09500000E-01         1.00000000E+00
Os    F
      3.37200000E-01         1.00000000E+00
Os    G
      2.08910000E+00         1.00000000E+00
Os    G
      8.43500000E-01         1.00000000E+00
end


ecp "Os_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (10s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Ir    S
      3.42048000E+01         1.33925100E-01
      2.13768000E+01        -1.17369279E+00
      1.33624000E+01         3.38030682E+00
      8.34835000E+00        -1.44768604E+00
Ir    S
      4.73163000E+00         1.00000000E+00
Ir    S
      1.30785000E+00         1.00000000E+00
Ir    S
      6.24334000E-01         1.00000000E+00
Ir    S
      1.93871000E-01         1.00000000E+00
Ir    S
      8.79490000E-02         1.00000000E+00
Ir    S
      3.75390000E-02         1.00000000E+00
Ir    P
      2.07204000E+01        -5.63101474E-02
      1.29677000E+01         3.15425543E-01
      5.72224000E+00        -1.21266858E+00
Ir    P
      1.55038000E+00         1.00000000E+00
Ir    P
      7.82660000E-01         1.00000000E+00
Ir    P
      3.85515000E-01         1.00000000E+00
Ir    P
      1.70609000E-01         1.00000000E+00
Ir    P
      7.28290000E-02         1.00000000E+00
Ir    P
      3.05710000E-02         1.00000000E+00
Ir    D
      9.14125000E+01         4.58998659E-04
      9.73013000E+00         2.91024275E-01
      6.07712000E+00        -1.25696783E+00
Ir    D
      1.68820000E+00         1.00000000E+00
Ir    D
      8.23786000E-01         1.00000000E+00
Ir    D
      3.82068000E-01         1.00000000E+00
Ir    D
      1.66965000E-01         1.00000000E+00
Ir    D
      6.72310000E-02         1.00000000E+00
Ir    F
      1.95410000E+00         1.00000000E+00
Ir    F
      1.01890000E+00         1.00000000E+00
Ir    F
      3.84700000E-01         1.00000000E+00
Ir    G
      2.29290000E+00         1.00000000E+00
Ir    G
      9.57700000E-01         1.00000000E+00
end


ecp "Ir_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (10s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Pt    S
      3.60064000E+01         1.01696093E-01
      2.24991000E+01        -8.96769712E-01
      1.40609000E+01         2.55870093E+00
      8.78161000E+00        -8.23062918E-01
Pt    S
      4.99238000E+00         1.00000000E+00
Pt    S
      1.38385000E+00         1.00000000E+00
Pt    S
      6.61617000E-01         1.00000000E+00
Pt    S
      2.04882000E-01         1.00000000E+00
Pt    S
      9.22300000E-02         1.00000000E+00
Pt    S
      3.92640000E-02         1.00000000E+00
Pt    P
      2.15986000E+01        -5.23695842E-02
      1.35160000E+01         2.99487906E-01
      5.92037000E+00        -1.20211943E+00
Pt    P
      1.64126000E+00         1.00000000E+00
Pt    P
      8.31131000E-01         1.00000000E+00
Pt    P
      4.08430000E-01         1.00000000E+00
Pt    P
      1.75427000E-01         1.00000000E+00
Pt    P
      7.26850000E-02         1.00000000E+00
Pt    P
      2.97610000E-02         1.00000000E+00
Pt    D
      7.27562000E+01         9.94253815E-04
      1.04742000E+01         2.41412474E-01
      6.25090000E+00        -1.20918472E+00
Pt    D
      1.80185000E+00         1.00000000E+00
Pt    D
      8.88454000E-01         1.00000000E+00
Pt    D
      4.15665000E-01         1.00000000E+00
Pt    D
      1.83080000E-01         1.00000000E+00
Pt    D
      7.42330000E-02         1.00000000E+00
Pt    F
      2.10770000E+00         1.00000000E+00
Pt    F
      1.13180000E+00         1.00000000E+00
Pt    F
      4.33700000E-01         1.00000000E+00
Pt    G
      2.49890000E+00         1.00000000E+00
Pt    G
      1.07720000E+00         1.00000000E+00
end


ecp "Pt_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (11s,10p,9d,4f,3g) -> [8s,8p,7d,4f,3g]
Au    S
      3.60126000E+01        -1.87335565E-01
      2.25645000E+01         1.62659226E+00
      1.41620000E+01        -4.80139046E+00
      8.85487000E+00         2.60360130E+00
Au    S
      5.06072000E+00         1.00000000E+00
Au    S
      1.47405000E+00         1.00000000E+00
Au    S
      7.04913000E-01         1.00000000E+00
Au    S
      2.17787000E-01         1.00000000E+00
Au    S
      9.74080000E-02         1.00000000E+00
Au    S
      4.12140000E-02         1.00000000E+00
Au    S
      1.740000E-02           1.000000E+00
Au    P
      2.15954000E+01        -5.49161217E-02
      1.35145000E+01         3.33186056E-01
      6.25514000E+00        -1.23262555E+00
Au    P
      1.71814000E+00         1.00000000E+00
Au    P
      8.69439000E-01         1.00000000E+00
Au    P
      4.26759000E-01         1.00000000E+00
Au    P
      1.84297000E-01         1.00000000E+00
Au    P
      7.63790000E-02         1.00000000E+00
Au    P
      3.12200000E-02         1.00000000E+00
Au    P
      1.280000E-02           1.000000E+00
Au    D
      8.70208000E+01         7.79357993E-04
      1.10668000E+01         2.53078796E-01
      6.66047000E+00        -1.21997866E+00
Au    D
      1.94696000E+00         1.00000000E+00
Au    D
      9.84706000E-01         1.00000000E+00
Au    D
      4.74655000E-01         1.00000000E+00
Au    D
      2.16558000E-01         1.00000000E+00
Au    D
      9.14720000E-02         1.00000000E+00
Au    D
      3.860000E-02           1.000000E+00
Au    F
      2.31610000E+00         1.00000000E+00
Au    F
      1.23530000E+00         1.00000000E+00
Au    F
      4.87800000E-01         1.00000000E+00
Au    F
      1.926000E-01           1.000000E+00
Au    G
      2.72830000E+00         1.00000000E+00
Au    G
      1.22570000E+00         1.00000000E+00
Au    G
      5.507000E-01           1.000000E+00
end


ecp "Au_seg-cc-pwCVTZ-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_seg-cc-pwCVTZ-PP" SPHERICAL 
#basis SET: (10s,9p,8d,3f,2g) -> [7s,7p,6d,3f,2g]
Hg    S
      4.86291000E+00         1.00000000E+00
Hg    S
      9.83058000E+01        -7.13528807E-03
      1.96406000E+01         7.30420189E-01
      1.23397000E+01        -3.67203602E+00
      7.74782000E+00         3.65197489E+00
Hg    S
      1.57719000E+00         1.00000000E+00
Hg    S
      7.52926000E-01         1.00000000E+00
Hg    S
      2.35112000E-01         1.00000000E+00
Hg    S
      1.03968000E-01         1.00000000E+00
Hg    S
      4.34000000E-02         1.00000000E+00
Hg    P
      2.14065000E+01        -5.23178112E-02
      1.33929000E+01         3.52661254E-01
      6.51021000E+00        -1.25543592E+00
Hg    P
      1.82222000E+00         1.00000000E+00
Hg    P
      9.26507000E-01         1.00000000E+00
Hg    P
      4.55082000E-01         1.00000000E+00
Hg    P
      1.92760000E-01         1.00000000E+00
Hg    P
      7.86890000E-02         1.00000000E+00
Hg    P
      3.17290000E-02         1.00000000E+00
Hg    D
      8.69881000E+01         9.99077402E-04
      1.19913000E+01         2.20124312E-01
      6.93648000E+00        -1.18792026E+00
Hg    D
      2.08641000E+00         1.00000000E+00
Hg    D
      1.07664000E+00         1.00000000E+00
Hg    D
      5.31153000E-01         1.00000000E+00
Hg    D
      2.48808000E-01         1.00000000E+00
Hg    D
      1.08170000E-01         1.00000000E+00
Hg    F
      2.48820000E+00         1.00000000E+00
Hg    F
      1.34790000E+00         1.00000000E+00
Hg    F
      5.42300000E-01         1.00000000E+00
Hg    G
      2.96680000E+00         1.00000000E+00
Hg    G
      1.37370000E+00         1.00000000E+00
end


ecp "Hg_seg-cc-pwCVTZ-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
