# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# aug-cc-pwCVDZ-PP-OPTRI version number 0
# Description: aug-cc-pwCVDZ-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-pwCVDZ-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-pwCVDZ-PP-OPTRI" SPHERICAL 
#basis SET: (5s,5p,5d,4f,4g,2h,1i) -> [5s,5p,5d,4f,4g,2h,1i]
Cu    S
     13.6151500              1.0000000
Cu    S
      7.4436000              1.0000000
Cu    S
      2.3742140              1.0000000
Cu    S
      1.4483190              1.0000000
Cu    S
      0.3468600              1.0000000
Cu    P
     11.0923800              1.0000000
Cu    P
      7.3506280              1.0000000
Cu    P
      2.0277600              1.0000000
Cu    P
      0.7878810              1.0000000
Cu    P
      0.4312230              1.0000000
Cu    D
     15.6885300              1.0000000
Cu    D
      6.4603340              1.0000000
Cu    D
      4.1723270              1.0000000
Cu    D
      1.0688050              1.0000000
Cu    D
      0.7114470              1.0000000
Cu    F
     21.8908900              1.0000000
Cu    F
      5.5693780              1.0000000
Cu    F
      1.3523440              1.0000000
Cu    F
      0.3976260              1.0000000
Cu    G
     14.1683100              1.0000000
Cu    G
      5.3687560              1.0000000
Cu    G
      2.0874870              1.0000000
Cu    G
      0.7558210              1.0000000
Cu    H
      8.0312760              1.0000000
Cu    H
      2.6281350              1.0000000
Cu    I
      5.4472130              1.0000000
end
basis "Zn_aug-cc-pwCVDZ-PP-OPTRI" SPHERICAL 
#basis SET: (5s,5p,5d,4f,4g,2h,1i) -> [5s,5p,5d,4f,4g,2h,1i]
Zn    S
     13.7001900              1.0000000
Zn    S
      9.1444660              1.0000000
Zn    S
      2.2237420              1.0000000
Zn    S
      1.4850770              1.0000000
Zn    S
      0.4181600              1.0000000
Zn    P
     23.2625500              1.0000000
Zn    P
     15.6736700              1.0000000
Zn    P
      1.9247800              1.0000000
Zn    P
      0.8462640              1.0000000
Zn    P
      0.5357150              1.0000000
Zn    D
     18.6133800              1.0000000
Zn    D
      7.5009300              1.0000000
Zn    D
      4.9823310              1.0000000
Zn    D
      1.6151700              1.0000000
Zn    D
      1.0748830              1.0000000
Zn    F
     25.1327300              1.0000000
Zn    F
      6.3711850              1.0000000
Zn    F
      1.6204940              1.0000000
Zn    F
      0.4510130              1.0000000
Zn    G
     17.1636700              1.0000000
Zn    G
      6.4469590              1.0000000
Zn    G
      2.6776790              1.0000000
Zn    G
      1.0182460              1.0000000
Zn    H
      9.1262860              1.0000000
Zn    H
      3.0970450              1.0000000
Zn    I
      6.4053200              1.0000000
end
basis "Ag_aug-cc-pwCVDZ-PP-OPTRI" SPHERICAL 
#basis SET: (5s,5p,5d,4f,4g,2h,1i) -> [5s,5p,5d,4f,4g,2h,1i]
Ag    S
     12.6392100              1.0000000
Ag    S
      8.5539920              1.0000000
Ag    S
      1.6093170              1.0000000
Ag    S
      0.8911370              1.0000000
Ag    S
      0.5995020              1.0000000
Ag    P
     11.4697800              1.0000000
Ag    P
      7.7147390              1.0000000
Ag    P
      5.1799100              1.0000000
Ag    P
      1.7497360              1.0000000
Ag    P
      0.5269690              1.0000000
Ag    D
     21.0014600              1.0000000
Ag    D
      6.3441670              1.0000000
Ag    D
      4.2406120              1.0000000
Ag    D
      0.8301640              1.0000000
Ag    D
      0.5536650              1.0000000
Ag    F
     11.6594400              1.0000000
Ag    F
      7.3985980              1.0000000
Ag    F
      2.6532840              1.0000000
Ag    F
      0.6631640              1.0000000
Ag    G
      7.0187400              1.0000000
Ag    G
      3.0883250              1.0000000
Ag    G
      1.3945630              1.0000000
Ag    G
      0.5833520              1.0000000
Ag    H
      3.1015640              1.0000000
Ag    H
      1.3194290              1.0000000
Ag    I
      2.2667700              1.0000000
end
basis "Cd_aug-cc-pwCVDZ-PP-OPTRI" SPHERICAL 
#basis SET: (5s,5p,5d,4f,4g,2h,1i) -> [5s,5p,5d,4f,4g,2h,1i]
Cd    S
     12.8693200              1.0000000
Cd    S
      6.3258540              1.0000000
Cd    S
      1.5123050              1.0000000
Cd    S
      0.6946080              1.0000000
Cd    S
      0.3427600              1.0000000
Cd    P
     12.5717400              1.0000000
Cd    P
      8.5174520              1.0000000
Cd    P
      5.7467910              1.0000000
Cd    P
      1.8560780              1.0000000
Cd    P
      0.5213110              1.0000000
Cd    D
     21.8321800              1.0000000
Cd    D
      7.3798510              1.0000000
Cd    D
      4.9417370              1.0000000
Cd    D
      2.0469140              1.0000000
Cd    D
      0.6528400              1.0000000
Cd    F
     15.3772100              1.0000000
Cd    F
      7.8405300              1.0000000
Cd    F
      2.9481920              1.0000000
Cd    F
      0.7731160              1.0000000
Cd    G
      7.1320870              1.0000000
Cd    G
      3.4520730              1.0000000
Cd    G
      1.5944050              1.0000000
Cd    G
      0.6885690              1.0000000
Cd    H
      3.4499030              1.0000000
Cd    H
      1.5154460              1.0000000
Cd    I
      2.5575350              1.0000000
end
basis "Au_aug-cc-pwCVDZ-PP-OPTRI" SPHERICAL 
#basis SET: (5s,5p,5d,4f,4g,2h,1i) -> [5s,5p,5d,4f,4g,2h,1i]
Au    S
     15.0545900              1.0000000
Au    S
     10.0417500              1.0000000
Au    S
      4.7854040              1.0000000
Au    S
      1.2661230              1.0000000
Au    S
      0.8450710              1.0000000
Au    P
     27.2832900              1.0000000
Au    P
      9.0880680              1.0000000
Au    P
      6.0522510              1.0000000
Au    P
      1.5092490              1.0000000
Au    P
      0.7770210              1.0000000
Au    D
     10.1673500              1.0000000
Au    D
      6.8013230              1.0000000
Au    D
      4.5419460              1.0000000
Au    D
      1.3564320              1.0000000
Au    D
      0.5096930              1.0000000
Au    F
      7.3994110              1.0000000
Au    F
      4.6716510              1.0000000
Au    F
      3.1253190              1.0000000
Au    F
      0.5665260              1.0000000
Au    G
      4.4745740              1.0000000
Au    G
      2.9860180              1.0000000
Au    G
      1.3999910              1.0000000
Au    G
      0.5744710              1.0000000
Au    H
      2.9044630              1.0000000
Au    H
      1.2824050              1.0000000
Au    I
      1.7224630              1.0000000
end
basis "Hg_aug-cc-pwCVDZ-PP-OPTRI" SPHERICAL 
#basis SET: (5s,5p,5d,4f,4g,2h,1i) -> [5s,5p,5d,4f,4g,2h,1i]
Hg    S
     13.3739400              1.0000000
Hg    S
      8.9239300              1.0000000
Hg    S
      5.7967510              1.0000000
Hg    S
      1.4314090              1.0000000
Hg    S
      0.4273330              1.0000000
Hg    P
     22.1153000              1.0000000
Hg    P
     11.4831600              1.0000000
Hg    P
      7.6630510              1.0000000
Hg    P
      1.4580420              1.0000000
Hg    P
      0.7486000              1.0000000
Hg    D
     10.6795500              1.0000000
Hg    D
      7.1339590              1.0000000
Hg    D
      4.7504670              1.0000000
Hg    D
      1.4854680              1.0000000
Hg    D
      0.3945090              1.0000000
Hg    F
      8.3062810              1.0000000
Hg    F
      5.5539610              1.0000000
Hg    F
      3.7121290              1.0000000
Hg    F
      0.6559140              1.0000000
Hg    G
      4.8929370              1.0000000
Hg    G
      3.2679300              1.0000000
Hg    G
      1.5760520              1.0000000
Hg    G
      0.6621480              1.0000000
Hg    H
      2.9810210              1.0000000
Hg    H
      1.2624060              1.0000000
Hg    I
      1.8808450              1.0000000
end
