# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# aug-cc-pwCVQZ-PP-OPTRI version number 0
# Description: aug-cc-pwCVQZ-PP-OPTRI
# Role: optri
# 
#  If you downloaded data from the basis set
#  exchange or used the basis set exchange python library, please cite:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# 
#  References for the basis set
# 
#  Cu,Zn,Ag,Cd,Au,Hg
#      aug-cc-pwCVQZ-PP-OPTRI
#          hill2012a
# 
# 
# 
# hill2012a
#     Hill, J. Grant, Peterson, Kirk A.
#     Explicitly Correlated Coupled Cluster Calculations for Molecules
#             Containing Group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) Elements:
#             Optimized Complementary Auxiliary Basis Sets for Valence and
#             Core-Valence Basis Sets
#     J. Chem. Theory Comput. 8, 518-526 (2012)
#     10.1021/ct200856f
# 
# # 
basis "Cu_aug-cc-pwCVQZ-PP-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,4f,4g,4h,2i) -> [4s,4p,4d,4f,4g,4h,2i]
Cu    S
     15.6595600              1.0000000
Cu    S
      9.0291410              1.0000000
Cu    S
      2.1261290              1.0000000
Cu    S
      0.3964990              1.0000000
Cu    P
     41.8837300              1.0000000
Cu    P
      6.6068050              1.0000000
Cu    P
      1.2153290              1.0000000
Cu    P
      0.2679380              1.0000000
Cu    D
     18.9013800              1.0000000
Cu    D
     10.6793200              1.0000000
Cu    D
      2.9743060              1.0000000
Cu    D
      1.2590120              1.0000000
Cu    F
     32.0268600              1.0000000
Cu    F
      7.4174180              1.0000000
Cu    F
      3.1755710              1.0000000
Cu    F
      1.4163280              1.0000000
Cu    G
     28.7594500              1.0000000
Cu    G
      6.6850860              1.0000000
Cu    G
      2.6787340              1.0000000
Cu    G
      1.0556140              1.0000000
Cu    H
     19.6012100              1.0000000
Cu    H
      5.6486840              1.0000000
Cu    H
      2.3828290              1.0000000
Cu    H
      0.6995660              1.0000000
Cu    I
      8.9191270              1.0000000
Cu    I
      2.6819400              1.0000000
end
basis "Zn_aug-cc-pwCVQZ-PP-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,4f,4g,4h,2i) -> [4s,4p,4d,4f,4g,4h,2i]
Zn    S
     16.8065200              1.0000000
Zn    S
     11.1957900              1.0000000
Zn    S
      2.4418920              1.0000000
Zn    S
      0.4142890              1.0000000
Zn    P
     56.3141100              1.0000000
Zn    P
      6.0447650              1.0000000
Zn    P
      2.1993610              1.0000000
Zn    P
      1.2674230              1.0000000
Zn    D
     29.6768500              1.0000000
Zn    D
     17.1091700              1.0000000
Zn    D
      3.4171910              1.0000000
Zn    D
      0.9482340              1.0000000
Zn    F
     34.9307200              1.0000000
Zn    F
      8.3763560              1.0000000
Zn    F
      3.7332330              1.0000000
Zn    F
      1.6111490              1.0000000
Zn    G
     28.9497600              1.0000000
Zn    G
      7.6267490              1.0000000
Zn    G
      3.1183980              1.0000000
Zn    G
      1.2602890              1.0000000
Zn    H
     23.0574700              1.0000000
Zn    H
      6.6880800              1.0000000
Zn    H
      2.8620040              1.0000000
Zn    H
      0.8483190              1.0000000
Zn    I
     10.3533400              1.0000000
Zn    I
      3.2450240              1.0000000
end
basis "Ag_aug-cc-pwCVQZ-PP-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,4f,4g,4h,2i) -> [4s,4p,4d,4f,4g,4h,2i]
Ag    S
     11.0054300              1.0000000
Ag    S
      7.4115940              1.0000000
Ag    S
      4.9794570              1.0000000
Ag    S
      0.4101510              1.0000000
Ag    P
     13.1221200              1.0000000
Ag    P
      8.7574330              1.0000000
Ag    P
      5.8517490              1.0000000
Ag    P
      1.0859340              1.0000000
Ag    D
     16.2182400              1.0000000
Ag    D
      3.0903320              1.0000000
Ag    D
      1.3316460              1.0000000
Ag    D
      0.3555740              1.0000000
Ag    F
     22.6496400              1.0000000
Ag    F
      4.5978000              1.0000000
Ag    F
      2.0002450              1.0000000
Ag    F
      0.8740240              1.0000000
Ag    G
      8.7408230              1.0000000
Ag    G
      5.8239680              1.0000000
Ag    G
      1.3626490              1.0000000
Ag    G
      0.5997100              1.0000000
Ag    H
      8.3329700              1.0000000
Ag    H
      5.5578820              1.0000000
Ag    H
      1.1962280              1.0000000
Ag    H
      0.5339390              1.0000000
Ag    I
      3.2121970              1.0000000
Ag    I
      1.3016100              1.0000000
end
basis "Cd_aug-cc-pwCVQZ-PP-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,4f,4g,4h,2i) -> [4s,4p,4d,4f,4g,4h,2i]
Cd    S
     12.6050800              1.0000000
Cd    S
      8.4676120              1.0000000
Cd    S
      5.6822680              1.0000000
Cd    S
      0.3040750              1.0000000
Cd    P
     18.3278800              1.0000000
Cd    P
      8.8919730              1.0000000
Cd    P
      5.8173450              1.0000000
Cd    P
      1.1196930              1.0000000
Cd    D
     13.5394200              1.0000000
Cd    D
      3.6535200              1.0000000
Cd    D
      1.5143640              1.0000000
Cd    D
      0.4010730              1.0000000
Cd    F
     20.9102500              1.0000000
Cd    F
      5.1483240              1.0000000
Cd    F
      2.2441100              1.0000000
Cd    F
      0.9833540              1.0000000
Cd    G
      9.8486880              1.0000000
Cd    G
      6.4547520              1.0000000
Cd    G
      1.5396980              1.0000000
Cd    G
      0.6962120              1.0000000
Cd    H
      9.1403530              1.0000000
Cd    H
      6.1085640              1.0000000
Cd    H
      1.3753010              1.0000000
Cd    H
      0.5821830              1.0000000
Cd    I
      3.6194630              1.0000000
Cd    I
      1.5070410              1.0000000
end
basis "Au_aug-cc-pwCVQZ-PP-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,4f,4g,4h,2i) -> [4s,4p,4d,4f,4g,4h,2i]
Au    S
     16.3402600              1.0000000
Au    S
     10.8820000              1.0000000
Au    S
      5.3692000              1.0000000
Au    S
      3.0956420              1.0000000
Au    P
     11.6028000              1.0000000
Au    P
      7.7695160              1.0000000
Au    P
      5.2034440              1.0000000
Au    P
      0.9291700              1.0000000
Au    D
     11.5163400              1.0000000
Au    D
      7.6826050              1.0000000
Au    D
      0.9327300              1.0000000
Au    D
      0.2809840              1.0000000
Au    F
     10.6089300              1.0000000
Au    F
      7.0681740              1.0000000
Au    F
      3.8671710              1.0000000
Au    F
      0.5773570              1.0000000
Au    G
      7.9319550              1.0000000
Au    G
      5.1989200              1.0000000
Au    G
      1.0522540              1.0000000
Au    G
      0.4679550              1.0000000
Au    H
      7.9748850              1.0000000
Au    H
      4.2035190              1.0000000
Au    H
      0.8616370              1.0000000
Au    H
      0.3839650              1.0000000
Au    I
      3.0514970              1.0000000
Au    I
      1.1871650              1.0000000
end
basis "Hg_aug-cc-pwCVQZ-PP-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,4f,4g,4h,2i) -> [4s,4p,4d,4f,4g,4h,2i]
Hg    S
     14.4225100              1.0000000
Hg    S
      9.6245240              1.0000000
Hg    S
      5.3065590              1.0000000
Hg    S
      2.9361840              1.0000000
Hg    P
     12.2879900              1.0000000
Hg    P
      8.2223340              1.0000000
Hg    P
      5.5047090              1.0000000
Hg    P
      0.9899050              1.0000000
Hg    D
     11.8387000              1.0000000
Hg    D
      7.9081460              1.0000000
Hg    D
      1.0832480              1.0000000
Hg    D
      0.3072470              1.0000000
Hg    F
     11.3884000              1.0000000
Hg    F
      7.5841900              1.0000000
Hg    F
      4.1482290              1.0000000
Hg    F
      0.6499290              1.0000000
Hg    G
     10.4224900              1.0000000
Hg    G
      5.7428270              1.0000000
Hg    G
      1.1655730              1.0000000
Hg    G
      0.5333180              1.0000000
Hg    H
      7.3101260              1.0000000
Hg    H
      4.8405280              1.0000000
Hg    H
      0.9545390              1.0000000
Hg    H
      0.4272870              1.0000000
Hg    I
      3.3166650              1.0000000
Hg    I
      1.3286570              1.0000000
end
