# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# aug-cc-pVTZ-PP-OPTRI version number 0
# Description: aug-cc-pVTZ-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-pVTZ-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-pVTZ-PP-OPTRI" SPHERICAL 
#basis SET: (7s,6p,6d,5f,5g,4h,1i) -> [7s,6p,6d,5f,5g,4h,1i]
Cu    S
     15.7721900              1.0000000
Cu    S
     10.5744700              1.0000000
Cu    S
      4.1727000              1.0000000
Cu    S
      2.6091000              1.0000000
Cu    S
      1.7545010              1.0000000
Cu    S
      0.9524060              1.0000000
Cu    S
      0.3594860              1.0000000
Cu    P
     24.6157200              1.0000000
Cu    P
      8.4652000              1.0000000
Cu    P
      4.8475730              1.0000000
Cu    P
      2.1782000              1.0000000
Cu    P
      1.4537210              1.0000000
Cu    P
      0.2864400              1.0000000
Cu    D
     19.2536200              1.0000000
Cu    D
     10.6972500              1.0000000
Cu    D
      5.9415000              1.0000000
Cu    D
      3.3806000              1.0000000
Cu    D
      1.1746550              1.0000000
Cu    D
      0.4592230              1.0000000
Cu    F
     40.5299000              1.0000000
Cu    F
     12.2237300              1.0000000
Cu    F
      2.8804730              1.0000000
Cu    F
      1.9227800              1.0000000
Cu    F
      0.6804820              1.0000000
Cu    G
     19.5433400              1.0000000
Cu    G
      8.6183000              1.0000000
Cu    G
      5.2316340              1.0000000
Cu    G
      2.1983820              1.0000000
Cu    G
      0.6200380              1.0000000
Cu    H
     15.8827700              1.0000000
Cu    H
      6.7627560              1.0000000
Cu    H
      2.8311860              1.0000000
Cu    H
      1.1309880              1.0000000
Cu    I
      5.4682390              1.0000000
end
basis "Zn_aug-cc-pVTZ-PP-OPTRI" SPHERICAL 
#basis SET: (7s,6p,6d,5f,5g,4h,1i) -> [7s,6p,6d,5f,5g,4h,1i]
Zn    S
     18.0156600              1.0000000
Zn    S
     12.0880700              1.0000000
Zn    S
      4.5786000              1.0000000
Zn    S
      2.8641000              1.0000000
Zn    S
      1.9284740              1.0000000
Zn    S
      1.0441780              1.0000000
Zn    S
      0.4211660              1.0000000
Zn    P
     56.6060600              1.0000000
Zn    P
     14.6815800              1.0000000
Zn    P
      9.2192000              1.0000000
Zn    P
      5.2228110              1.0000000
Zn    P
      2.3491000              1.0000000
Zn    P
      1.1160830              1.0000000
Zn    D
     23.7157300              1.0000000
Zn    D
     11.3172500              1.0000000
Zn    D
      6.6860000              1.0000000
Zn    D
      4.0411000              1.0000000
Zn    D
      2.6941890              1.0000000
Zn    D
      0.6540230              1.0000000
Zn    F
     35.2811000              1.0000000
Zn    F
     13.1821700              1.0000000
Zn    F
      8.7979740              1.0000000
Zn    F
      2.9859060              1.0000000
Zn    F
      0.8090970              1.0000000
Zn    G
     23.8968200              1.0000000
Zn    G
      9.7523000              1.0000000
Zn    G
      6.4981750              1.0000000
Zn    G
      2.5669490              1.0000000
Zn    G
      0.7415720              1.0000000
Zn    H
     20.7236100              1.0000000
Zn    H
      8.2648140              1.0000000
Zn    H
      3.6335050              1.0000000
Zn    H
      1.4885070              1.0000000
Zn    I
      6.4232100              1.0000000
end
basis "Ag_aug-cc-pVTZ-PP-OPTRI" SPHERICAL 
#basis SET: (7s,6p,6d,5f,5g,4h,1i) -> [7s,6p,6d,5f,5g,4h,1i]
Ag    S
     12.9880100              1.0000000
Ag    S
      8.6662790              1.0000000
Ag    S
      5.7638620              1.0000000
Ag    S
      2.2252000              1.0000000
Ag    S
      1.3969000              1.0000000
Ag    S
      0.9330580              1.0000000
Ag    S
      0.4387890              1.0000000
Ag    P
     13.3073000              1.0000000
Ag    P
      8.9584390              1.0000000
Ag    P
      3.5359000              1.0000000
Ag    P
      1.2402000              1.0000000
Ag    P
      0.8365060              1.0000000
Ag    P
      0.3466010              1.0000000
Ag    D
     56.0864700              1.0000000
Ag    D
     12.6350100              1.0000000
Ag    D
      8.3996330              1.0000000
Ag    D
      4.4524000              1.0000000
Ag    D
      1.5748000              1.0000000
Ag    D
      0.6887130              1.0000000
Ag    F
     18.4005100              1.0000000
Ag    F
      5.8492330              1.0000000
Ag    F
      3.8949010              1.0000000
Ag    F
      1.3934570              1.0000000
Ag    F
      0.4319710              1.0000000
Ag    G
     18.1892300              1.0000000
Ag    G
     12.1284200              1.0000000
Ag    G
      3.4990000              1.0000000
Ag    G
      1.0602030              1.0000000
Ag    G
      0.4485200              1.0000000
Ag    H
      6.5612130              1.0000000
Ag    H
      3.7654840              1.0000000
Ag    H
      1.8351940              1.0000000
Ag    H
      0.7682030              1.0000000
Ag    I
      2.2677190              1.0000000
end
basis "Cd_aug-cc-pVTZ-PP-OPTRI" SPHERICAL 
#basis SET: (7s,6p,6d,5f,5g,4h,1i) -> [7s,6p,6d,5f,5g,4h,1i]
Cd    S
     14.0033000              1.0000000
Cd    S
      9.3781600              1.0000000
Cd    S
      6.2810640              1.0000000
Cd    S
      2.3847000              1.0000000
Cd    S
      1.4979000              1.0000000
Cd    S
      0.9230580              1.0000000
Cd    S
      0.4476570              1.0000000
Cd    P
     14.1936900              1.0000000
Cd    P
      9.6352000              1.0000000
Cd    P
      3.8946000              1.0000000
Cd    P
      1.3110000              1.0000000
Cd    P
      0.8908050              1.0000000
Cd    P
      0.3519550              1.0000000
Cd    D
     53.1135200              1.0000000
Cd    D
     14.6220100              1.0000000
Cd    D
      8.5679360              1.0000000
Cd    D
      5.0344000              1.0000000
Cd    D
      1.8041000              1.0000000
Cd    D
      0.7707920              1.0000000
Cd    F
     12.5015000              1.0000000
Cd    F
      4.7847500              1.0000000
Cd    F
      1.9146020              1.0000000
Cd    F
      1.2761520              1.0000000
Cd    F
      0.5075280              1.0000000
Cd    G
      9.0379910              1.0000000
Cd    G
      6.0128280              1.0000000
Cd    G
      3.8914000              1.0000000
Cd    G
      1.2249850              1.0000000
Cd    G
      0.4278500              1.0000000
Cd    H
      7.3591130              1.0000000
Cd    H
      3.8335400              1.0000000
Cd    H
      1.8353910              1.0000000
Cd    H
      0.7685240              1.0000000
Cd    I
      2.5584550              1.0000000
end
basis "Au_aug-cc-pVTZ-PP-OPTRI" SPHERICAL 
#basis SET: (7s,6p,6d,5f,5g,4h,1i) -> [7s,6p,6d,5f,5g,4h,1i]
Au    S
     15.8646600              1.0000000
Au    S
     10.5863500              1.0000000
Au    S
      7.0672090              1.0000000
Au    S
      2.9724350              1.0000000
Au    S
      1.9834000              1.0000000
Au    S
      1.2448000              1.0000000
Au    S
      0.8319210              1.0000000
Au    P
     11.7883500              1.0000000
Au    P
      8.0161500              1.0000000
Au    P
      2.6637000              1.0000000
Au    P
      1.1410000              1.0000000
Au    P
      0.7680020              1.0000000
Au    P
      0.1822350              1.0000000
Au    D
     11.5463000              1.0000000
Au    D
      7.7001940              1.0000000
Au    D
      3.4696000              1.0000000
Au    D
      1.2171000              1.0000000
Au    D
      0.5904350              1.0000000
Au    D
      0.2063210              1.0000000
Au    F
      5.7087640              1.0000000
Au    F
      3.8055220              1.0000000
Au    F
      2.5389910              1.0000000
Au    F
      0.8029970              1.0000000
Au    F
      0.3058530              1.0000000
Au    G
      6.0586110              1.0000000
Au    G
      4.0649930              1.0000000
Au    G
      2.7283000              1.0000000
Au    G
      0.8213260              1.0000000
Au    G
      0.3668080              1.0000000
Au    H
      5.1133800              1.0000000
Au    H
      3.4081930              1.0000000
Au    H
      1.6497500              1.0000000
Au    H
      0.7040980              1.0000000
Au    I
      1.7233740              1.0000000
end
basis "Hg_aug-cc-pVTZ-PP-OPTRI" SPHERICAL 
#basis SET: (7s,6p,6d,5f,5g,4h,1i) -> [7s,6p,6d,5f,5g,4h,1i]
Hg    S
     20.3403200              1.0000000
Hg    S
     13.5899500              1.0000000
Hg    S
      9.0798070              1.0000000
Hg    S
      3.1756500              1.0000000
Hg    S
      2.1304000              1.0000000
Hg    S
      1.3378000              1.0000000
Hg    S
      0.5272570              1.0000000
Hg    P
     11.8058700              1.0000000
Hg    P
      8.0785100              1.0000000
Hg    P
      2.8228000              1.0000000
Hg    P
      1.1949000              1.0000000
Hg    P
      0.8019890              1.0000000
Hg    P
      0.1913850              1.0000000
Hg    D
     11.8098900              1.0000000
Hg    D
      7.8919990              1.0000000
Hg    D
      3.7153000              1.0000000
Hg    D
      1.3573000              1.0000000
Hg    D
      0.6721510              1.0000000
Hg    D
      0.4037470              1.0000000
Hg    F
      7.2773820              1.0000000
Hg    F
      4.8571940              1.0000000
Hg    F
      3.2423690              1.0000000
Hg    F
      0.8100520              1.0000000
Hg    F
      0.3271110              1.0000000
Hg    G
      9.9730510              1.0000000
Hg    G
      6.6487690              1.0000000
Hg    G
      4.4367660              1.0000000
Hg    G
      2.9668000              1.0000000
Hg    G
      0.4200240              1.0000000
Hg    H
      7.1550830              1.0000000
Hg    H
      4.2724950              1.0000000
Hg    H
      1.9604390              1.0000000
Hg    H
      0.8778760              1.0000000
Hg    I
      1.8817780              1.0000000
end
