# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# aug-cc-pVQZ-PP-OPTRI version number 0
# Description: aug-cc-pVQZ-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-pVQZ-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-pVQZ-PP-OPTRI" SPHERICAL 
#basis SET: (6s,6p,6d,5f,4g,5h,2i) -> [6s,6p,6d,5f,4g,5h,2i]
Cu    S
     15.6595600              1.0000000
Cu    S
      9.0291410              1.0000000
Cu    S
      5.0913000              1.0000000
Cu    S
      3.1910000              1.0000000
Cu    S
      2.1261290              1.0000000
Cu    S
      0.3964990              1.0000000
Cu    P
     41.8837300              1.0000000
Cu    P
      9.8980000              1.0000000
Cu    P
      6.6068050              1.0000000
Cu    P
      3.0653000              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
      7.1185000              1.0000000
Cu    D
      4.4632000              1.0000000
Cu    D
      2.9743060              1.0000000
Cu    D
      1.2590120              1.0000000
Cu    F
     27.8116000              1.0000000
Cu    F
     18.4704100              1.0000000
Cu    F
     12.3271100              1.0000000
Cu    F
      4.8885390              1.0000000
Cu    F
      1.6242840              1.0000000
Cu    G
     15.7749000              1.0000000
Cu    G
      3.9909970              1.0000000
Cu    G
      2.6671990              1.0000000
Cu    G
      1.0572970              1.0000000
Cu    H
     19.6012100              1.0000000
Cu    H
      8.9337000              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-pVQZ-PP-OPTRI" SPHERICAL 
#basis SET: (6s,6p,6d,5f,4g,5h,2i) -> [6s,6p,6d,5f,4g,5h,2i]
Zn    S
     16.8065200              1.0000000
Zn    S
     11.1957900              1.0000000
Zn    S
      5.8361000              1.0000000
Zn    S
      3.6596000              1.0000000
Zn    S
      2.4418920              1.0000000
Zn    S
      0.4142890              1.0000000
Zn    P
     56.3141100              1.0000000
Zn    P
     10.6413000              1.0000000
Zn    P
      6.0447650              1.0000000
Zn    P
      3.2895000              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
      8.1403000              1.0000000
Zn    D
      5.1080000              1.0000000
Zn    D
      3.4171910              1.0000000
Zn    D
      0.9482340              1.0000000
Zn    F
     48.5372800              1.0000000
Zn    F
     19.9968100              1.0000000
Zn    F
     13.3325800              1.0000000
Zn    F
      4.5934600              1.0000000
Zn    F
      1.8439040              1.0000000
Zn    G
     17.8416400              1.0000000
Zn    G
      4.6777460              1.0000000
Zn    G
      3.1230850              1.0000000
Zn    G
      1.2665070              1.0000000
Zn    H
     23.0574700              1.0000000
Zn    H
     10.0727000              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-pVQZ-PP-OPTRI" SPHERICAL 
#basis SET: (6s,6p,6d,5f,4g,5h,2i) -> [6s,6p,6d,5f,4g,5h,2i]
Ag    S
     11.0054300              1.0000000
Ag    S
      7.4115940              1.0000000
Ag    S
      4.9794570              1.0000000
Ag    S
      2.5613000              1.0000000
Ag    S
      1.6037000              1.0000000
Ag    S
      0.4101510              1.0000000
Ag    P
     10.7080500              1.0000000
Ag    P
      7.1624980              1.0000000
Ag    P
      4.8084870              1.0000000
Ag    P
      3.2389000              1.0000000
Ag    P
      2.0247000              1.0000000
Ag    P
      0.6504720              1.0000000
Ag    D
     16.2182400              1.0000000
Ag    D
      5.0880000              1.0000000
Ag    D
      3.0903320              1.0000000
Ag    D
      2.0554000              1.0000000
Ag    D
      1.3316460              1.0000000
Ag    D
      0.3555740              1.0000000
Ag    F
     22.6069800              1.0000000
Ag    F
     12.9812300              1.0000000
Ag    F
      6.7038800              1.0000000
Ag    F
      2.2155440              1.0000000
Ag    F
      0.9524170              1.0000000
Ag    G
      7.1174360              1.0000000
Ag    G
      3.8663510              1.0000000
Ag    G
      1.3584500              1.0000000
Ag    G
      0.5992050              1.0000000
Ag    H
      8.3329700              1.0000000
Ag    H
      5.5578820              1.0000000
Ag    H
      3.6986000              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-pVQZ-PP-OPTRI" SPHERICAL 
#basis SET: (6s,6p,6d,5f,4g,5h,2i) -> [6s,6p,6d,5f,4g,5h,2i]
Cd    S
     12.6050800              1.0000000
Cd    S
      8.4676120              1.0000000
Cd    S
      5.6822680              1.0000000
Cd    S
      2.8823000              1.0000000
Cd    S
      1.8033000              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
      3.6161000              1.0000000
Cd    P
      2.0791000              1.0000000
Cd    P
      1.1196930              1.0000000
Cd    D
     13.5394200              1.0000000
Cd    D
      5.5840000              1.0000000
Cd    D
      3.6535200              1.0000000
Cd    D
      2.2520000              1.0000000
Cd    D
      1.5143640              1.0000000
Cd    D
      0.4010730              1.0000000
Cd    F
     20.9701200              1.0000000
Cd    F
     11.8514400              1.0000000
Cd    F
      7.6766720              1.0000000
Cd    F
      2.5664290              1.0000000
Cd    F
      1.0831620              1.0000000
Cd    G
      7.8161510              1.0000000
Cd    G
      5.1514110              1.0000000
Cd    G
      1.6173920              1.0000000
Cd    G
      0.6957910              1.0000000
Cd    H
      9.1403530              1.0000000
Cd    H
      6.1085640              1.0000000
Cd    H
      4.0892000              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-pVQZ-PP-OPTRI" SPHERICAL 
#basis SET: (6s,6p,6d,5f,4g,5h,2i) -> [6s,6p,6d,5f,4g,5h,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    S
      1.2340000              1.0000000
Au    S
      0.7723000              1.0000000
Au    P
     11.6028000              1.0000000
Au    P
      7.7695160              1.0000000
Au    P
      5.2034440              1.0000000
Au    P
      2.6937000              1.0000000
Au    P
      1.6857000              1.0000000
Au    P
      0.9291700              1.0000000
Au    D
     11.5163400              1.0000000
Au    D
      7.6826050              1.0000000
Au    D
      3.7149000              1.0000000
Au    D
      1.6920000              1.0000000
Au    D
      0.9327300              1.0000000
Au    D
      0.2809840              1.0000000
Au    F
      8.6115300              1.0000000
Au    F
      4.6247140              1.0000000
Au    F
      3.0827390              1.0000000
Au    F
      1.1941890              1.0000000
Au    F
      0.5292290              1.0000000
Au    G
      5.5105260              1.0000000
Au    G
      3.4396810              1.0000000
Au    G
      1.2656440              1.0000000
Au    G
      0.4675960              1.0000000
Au    H
      7.9748850              1.0000000
Au    H
      4.2035190              1.0000000
Au    H
      2.7477000              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-pVQZ-PP-OPTRI" SPHERICAL 
#basis SET: (6s,6p,6d,5f,4g,5h,2i) -> [6s,6p,6d,5f,4g,5h,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    S
      1.3570000              1.0000000
Hg    S
      0.8492000              1.0000000
Hg    P
     12.2879900              1.0000000
Hg    P
      8.2223340              1.0000000
Hg    P
      5.5047090              1.0000000
Hg    P
      2.8456000              1.0000000
Hg    P
      1.7807000              1.0000000
Hg    P
      0.9899050              1.0000000
Hg    D
     11.8386960              1.0000000
Hg    D
      7.9081460              1.0000000
Hg    D
      3.9770000              1.0000000
Hg    D
      1.8985000              1.0000000
Hg    D
      1.0832480              1.0000000
Hg    D
      0.3072470              1.0000000
Hg    F
     10.1986000              1.0000000
Hg    F
      6.8057890              1.0000000
Hg    F
      4.5502440              1.0000000
Hg    F
      3.0540650              1.0000000
Hg    F
      0.5899570              1.0000000
Hg    G
      5.8618090              1.0000000
Hg    G
      3.2618560              1.0000000
Hg    G
      1.4024810              1.0000000
Hg    G
      0.5324530              1.0000000
Hg    H
      7.3101260              1.0000000
Hg    H
      4.8405280              1.0000000
Hg    H
      2.9400000              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
