# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# aug-cc-pwCV5Z-PP-OPTRI version number 0
# Description: aug-cc-pwCV5Z-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-pwCV5Z-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-pwCV5Z-PP-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,5f,4g,3h,3i) -> [4s,5p,4d,5f,4g,3h,3i]
Cu    S
     16.1487700              1.0000000
Cu    S
      9.7643270              1.0000000
Cu    S
      2.0857240              1.0000000
Cu    S
      0.4289630              1.0000000
Cu    P
     24.8549400              1.0000000
Cu    P
     16.5811800              1.0000000
Cu    P
      7.3741310              1.0000000
Cu    P
      2.7774340              1.0000000
Cu    P
      1.1010040              1.0000000
Cu    D
     22.3648300              1.0000000
Cu    D
     14.7227600              1.0000000
Cu    D
      2.3627430              1.0000000
Cu    D
      0.9820490              1.0000000
Cu    F
     41.4763800              1.0000000
Cu    F
      9.7470610              1.0000000
Cu    F
      2.0574470              1.0000000
Cu    F
      0.9295630              1.0000000
Cu    F
      0.3317910              1.0000000
Cu    G
     28.0707200              1.0000000
Cu    G
     18.7476400              1.0000000
Cu    G
      1.9426200              1.0000000
Cu    G
      0.6241110              1.0000000
Cu    H
     26.4210000              1.0000000
Cu    H
      3.3640050              1.0000000
Cu    H
      0.5655600              1.0000000
Cu    I
     23.1730000              1.0000000
Cu    I
      3.4076850              1.0000000
Cu    I
      0.9306450              1.0000000
end
basis "Zn_aug-cc-pwCV5Z-PP-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,5f,4g,3h,3i) -> [4s,5p,4d,5f,4g,3h,3i]
Zn    S
     18.9142800              1.0000000
Zn    S
      9.9509170              1.0000000
Zn    S
      1.8868520              1.0000000
Zn    S
      0.4577640              1.0000000
Zn    P
     27.2220900              1.0000000
Zn    P
     18.1883100              1.0000000
Zn    P
      6.6280000              1.0000000
Zn    P
      2.9431880              1.0000000
Zn    P
      1.0702170              1.0000000
Zn    D
     28.3044500              1.0000000
Zn    D
     16.0328200              1.0000000
Zn    D
      4.2237210              1.0000000
Zn    D
      1.3101880              1.0000000
Zn    F
     44.6238900              1.0000000
Zn    F
     10.9450000              1.0000000
Zn    F
      2.3318010              1.0000000
Zn    F
      0.9957230              1.0000000
Zn    F
      0.3820230              1.0000000
Zn    G
     31.4927800              1.0000000
Zn    G
     21.0194900              1.0000000
Zn    G
      2.2035310              1.0000000
Zn    G
      0.7377010              1.0000000
Zn    H
     28.8480400              1.0000000
Zn    H
      3.7932340              1.0000000
Zn    H
      0.6903550              1.0000000
Zn    I
     21.7245700              1.0000000
Zn    I
      1.8697920              1.0000000
Zn    I
      0.8913410              1.0000000
end
basis "Ag_aug-cc-pwCV5Z-PP-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,5f,4g,3h,3i) -> [4s,5p,4d,5f,4g,3h,3i]
Ag    S
     13.6096900              1.0000000
Ag    S
      9.0967070              1.0000000
Ag    S
      6.0815890              1.0000000
Ag    S
      0.6951880              1.0000000
Ag    P
     35.2547600              1.0000000
Ag    P
     21.2202500              1.0000000
Ag    P
     12.8946500              1.0000000
Ag    P
      5.7596980              1.0000000
Ag    P
      0.5558870              1.0000000
Ag    D
     13.8603700              1.0000000
Ag    D
      9.2363270              1.0000000
Ag    D
      3.6501580              1.0000000
Ag    D
      1.5027120              1.0000000
Ag    F
     45.7050200              1.0000000
Ag    F
      6.8333000              1.0000000
Ag    F
      3.1553970              1.0000000
Ag    F
      0.6603420              1.0000000
Ag    F
      0.2526460              1.0000000
Ag    G
     15.8904700              1.0000000
Ag    G
      9.9602720              1.0000000
Ag    G
      6.6477810              1.0000000
Ag    G
      0.9986350              1.0000000
Ag    H
     10.8080000              1.0000000
Ag    H
      1.6524360              1.0000000
Ag    H
      0.7129210              1.0000000
Ag    I
      9.4686340              1.0000000
Ag    I
      6.3254710              1.0000000
Ag    I
      0.6505270              1.0000000
end
basis "Cd_aug-cc-pwCV5Z-PP-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,5f,4g,3h,3i) -> [4s,5p,4d,5f,4g,3h,3i]
Cd    S
     14.9066800              1.0000000
Cd    S
      9.9389040              1.0000000
Cd    S
      4.7655770              1.0000000
Cd    S
      0.8029500              1.0000000
Cd    P
     43.9605400              1.0000000
Cd    P
     29.2192900              1.0000000
Cd    P
     13.0975200              1.0000000
Cd    P
      6.2369020              1.0000000
Cd    P
      0.6705190              1.0000000
Cd    D
     15.8772700              1.0000000
Cd    D
     10.5901800              1.0000000
Cd    D
      3.9887640              1.0000000
Cd    D
      1.7333640              1.0000000
Cd    F
     58.6277300              1.0000000
Cd    F
      7.5402360              1.0000000
Cd    F
      3.5051790              1.0000000
Cd    F
      0.7408840              1.0000000
Cd    F
      0.2872760              1.0000000
Cd    G
     25.5459400              1.0000000
Cd    G
     11.0320300              1.0000000
Cd    G
      7.3701190              1.0000000
Cd    G
      1.1101450              1.0000000
Cd    H
     11.5433900              1.0000000
Cd    H
      1.8284580              1.0000000
Cd    H
      0.8140200              1.0000000
Cd    I
     10.3795400              1.0000000
Cd    I
      6.9316230              1.0000000
Cd    I
      0.7566540              1.0000000
end
basis "Au_aug-cc-pwCV5Z-PP-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,5f,4g,3h,3i) -> [4s,5p,4d,5f,4g,3h,3i]
Au    S
     14.8066400              1.0000000
Au    S
      9.8550790              1.0000000
Au    S
      1.2248030              1.0000000
Au    S
      0.8161650              1.0000000
Au    P
     37.1911200              1.0000000
Au    P
     24.7546100              1.0000000
Au    P
     16.4824000              1.0000000
Au    P
      8.9713930              1.0000000
Au    P
      1.0628140              1.0000000
Au    D
     18.5226400              1.0000000
Au    D
     12.3594000              1.0000000
Au    D
      8.2557710              1.0000000
Au    D
      1.0465220              1.0000000
Au    F
     17.8462600              1.0000000
Au    F
     11.8986900              1.0000000
Au    F
      7.9469490              1.0000000
Au    F
      5.3190070              1.0000000
Au    F
      0.1832190              1.0000000
Au    G
     11.7637900              1.0000000
Au    G
      7.7484890              1.0000000
Au    G
      5.1645420              1.0000000
Au    G
      0.8042460              1.0000000
Au    H
      7.3414400              1.0000000
Au    H
      4.8485840              1.0000000
Au    H
      1.2309390              1.0000000
Au    I
      7.0811200              1.0000000
Au    I
      4.7311640              1.0000000
Au    I
      0.5503740              1.0000000
end
basis "Hg_aug-cc-pwCV5Z-PP-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,5f,4g,3h,3i) -> [4s,5p,4d,5f,4g,3h,3i]
Hg    S
     14.4226800              1.0000000
Hg    S
      9.6425600              1.0000000
Hg    S
      6.4519570              1.0000000
Hg    S
      4.3033170              1.0000000
Hg    P
     31.4829000              1.0000000
Hg    P
     20.9713100              1.0000000
Hg    P
     13.9783600              1.0000000
Hg    P
      9.3106750              1.0000000
Hg    P
      1.0466940              1.0000000
Hg    D
     36.1835600              1.0000000
Hg    D
      8.5504580              1.0000000
Hg    D
      5.7033560              1.0000000
Hg    D
      1.1206540              1.0000000
Hg    F
     19.0066900              1.0000000
Hg    F
     12.6748300              1.0000000
Hg    F
      8.4632210              1.0000000
Hg    F
      5.6598160              1.0000000
Hg    F
      0.2070840              1.0000000
Hg    G
     12.9252400              1.0000000
Hg    G
      8.6166960              1.0000000
Hg    G
      5.6786050              1.0000000
Hg    G
      0.8950390              1.0000000
Hg    H
      7.8047500              1.0000000
Hg    H
      5.1579460              1.0000000
Hg    H
      1.3396460              1.0000000
Hg    I
      7.5381580              1.0000000
Hg    I
      5.0346660              1.0000000
Hg    I
      0.6201770              1.0000000
end
