# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# aug-cc-pV5Z-PP-OPTRI version number 0
# Description: aug-cc-pV5Z-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-pV5Z-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-pV5Z-PP-OPTRI" SPHERICAL 
#basis SET: (6s,7p,6d,6f,4g,3h,4i) -> [6s,7p,6d,6f,4g,3h,4i]
Cu    S
     16.1487700              1.0000000
Cu    S
      9.7643270              1.0000000
Cu    S
      5.8694000              1.0000000
Cu    S
      3.6782000              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
     11.0724000              1.0000000
Cu    P
      7.3741310              1.0000000
Cu    P
      4.1598000              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
      9.4711000              1.0000000
Cu    D
      5.9405000              1.0000000
Cu    D
      2.3627430              1.0000000
Cu    D
      0.9820490              1.0000000
Cu    F
     42.4996600              1.0000000
Cu    F
     19.1561100              1.0000000
Cu    F
      6.8236650              1.0000000
Cu    F
      2.2717830              1.0000000
Cu    F
      0.8608240              1.0000000
Cu    F
      0.2708530              1.0000000
Cu    G
     19.7019600              1.0000000
Cu    G
      5.0071500              1.0000000
Cu    G
      2.0948670              1.0000000
Cu    G
      0.6246360              1.0000000
Cu    H
     15.3095900              1.0000000
Cu    H
      3.7384230              1.0000000
Cu    H
      0.5255650              1.0000000
Cu    I
     23.1730000              1.0000000
Cu    I
     10.2939000              1.0000000
Cu    I
      3.4076850              1.0000000
Cu    I
      0.9306450              1.0000000
end
basis "Zn_aug-cc-pV5Z-PP-OPTRI" SPHERICAL 
#basis SET: (6s,7p,6d,6f,4g,3h,4i) -> [6s,7p,6d,6f,4g,3h,4i]
Zn    S
     18.9142800              1.0000000
Zn    S
      9.9509170              1.0000000
Zn    S
      6.6391000              1.0000000
Zn    S
      4.1605000              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
     12.1658000              1.0000000
Zn    P
      6.6280000              1.0000000
Zn    P
      4.4104000              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
     10.6203000              1.0000000
Zn    D
      6.6621000              1.0000000
Zn    D
      4.2237210              1.0000000
Zn    D
      1.3101880              1.0000000
Zn    F
     54.4625200              1.0000000
Zn    F
     22.9402400              1.0000000
Zn    F
      7.3229180              1.0000000
Zn    F
      2.7662630              1.0000000
Zn    F
      0.9536810              1.0000000
Zn    F
      0.3132140              1.0000000
Zn    G
     24.5217100              1.0000000
Zn    G
      5.4736740              1.0000000
Zn    G
      1.9178280              1.0000000
Zn    G
      0.7395030              1.0000000
Zn    H
     15.2528700              1.0000000
Zn    H
      4.7332860              1.0000000
Zn    H
      0.6394180              1.0000000
Zn    I
     21.7245700              1.0000000
Zn    I
     11.4367000              1.0000000
Zn    I
      1.8697920              1.0000000
Zn    I
      0.8913410              1.0000000
end
basis "Ag_aug-cc-pV5Z-PP-OPTRI" SPHERICAL 
#basis SET: (6s,7p,6d,6f,4g,3h,4i) -> [6s,7p,6d,6f,4g,3h,4i]
Ag    S
     13.6096900              1.0000000
Ag    S
      9.0967070              1.0000000
Ag    S
      6.0815890              1.0000000
Ag    S
      1.6649000              1.0000000
Ag    S
      1.0415000              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
      3.8457000              1.0000000
Ag    P
      2.4086000              1.0000000
Ag    P
      0.5558870              1.0000000
Ag    D
     13.8603700              1.0000000
Ag    D
      9.2363270              1.0000000
Ag    D
      5.3756000              1.0000000
Ag    D
      3.6501580              1.0000000
Ag    D
      2.4802000              1.0000000
Ag    D
      1.5027120              1.0000000
Ag    F
     21.7167500              1.0000000
Ag    F
     10.6725200              1.0000000
Ag    F
      3.9603920              1.0000000
Ag    F
      1.6508060              1.0000000
Ag    F
      0.6632440              1.0000000
Ag    F
      0.2258910              1.0000000
Ag    G
     12.8251900              1.0000000
Ag    G
      5.1217420              1.0000000
Ag    G
      2.2287890              1.0000000
Ag    G
      0.9336430              1.0000000
Ag    H
      4.2141130              1.0000000
Ag    H
      1.6114710              1.0000000
Ag    H
      0.7095630              1.0000000
Ag    I
      9.4686340              1.0000000
Ag    I
      6.3254710              1.0000000
Ag    I
      4.2423000              1.0000000
Ag    I
      0.6505270              1.0000000
end
basis "Cd_aug-cc-pV5Z-PP-OPTRI" SPHERICAL 
#basis SET: (6s,7p,6d,6f,4g,3h,4i) -> [6s,7p,6d,6f,4g,3h,4i]
Cd    S
     14.9066800              1.0000000
Cd    S
      9.9389040              1.0000000
Cd    S
      4.7655770              1.0000000
Cd    S
      1.9234000              1.0000000
Cd    S
      1.2027000              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
      4.1667000              1.0000000
Cd    P
      2.6094000              1.0000000
Cd    P
      0.6705190              1.0000000
Cd    D
     15.8772700              1.0000000
Cd    D
     10.5901800              1.0000000
Cd    D
      5.9557000              1.0000000
Cd    D
      3.9887640              1.0000000
Cd    D
      2.6750000              1.0000000
Cd    D
      1.7333640              1.0000000
Cd    F
     29.9981300              1.0000000
Cd    F
     11.6811700              1.0000000
Cd    F
      5.0357030              1.0000000
Cd    F
      1.7731030              1.0000000
Cd    F
      0.7519840              1.0000000
Cd    F
      0.2519020              1.0000000
Cd    G
     14.1060300              1.0000000
Cd    G
      6.1318470              1.0000000
Cd    G
      2.5194190              1.0000000
Cd    G
      1.0508490              1.0000000
Cd    H
      4.7507890              1.0000000
Cd    H
      1.8222440              1.0000000
Cd    H
      0.8128190              1.0000000
Cd    I
     10.3795400              1.0000000
Cd    I
      6.9316230              1.0000000
Cd    I
      4.6428000              1.0000000
Cd    I
      0.7566540              1.0000000
end
basis "Au_aug-cc-pV5Z-PP-OPTRI" SPHERICAL 
#basis SET: (6s,7p,6d,6f,4g,3h,4i) -> [6s,7p,6d,6f,4g,3h,4i]
Au    S
     14.8066400              1.0000000
Au    S
      9.8550790              1.0000000
Au    S
      6.3156000              1.0000000
Au    S
      3.9472000              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
      5.9859000              1.0000000
Au    P
      3.7451000              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
      5.5185000              1.0000000
Au    D
      3.4524000              1.0000000
Au    D
      1.0465220              1.0000000
Au    F
     17.4878500              1.0000000
Au    F
     11.6290700              1.0000000
Au    F
      7.7427220              1.0000000
Au    F
      5.1670790              1.0000000
Au    F
      3.4507490              1.0000000
Au    F
      0.1824930              1.0000000
Au    G
     57.7815000              1.0000000
Au    G
      5.7190310              1.0000000
Au    G
      3.8163930              1.0000000
Au    G
      0.7552990              1.0000000
Au    H
      6.8651800              1.0000000
Au    H
      4.2425520              1.0000000
Au    H
      1.2159840              1.0000000
Au    I
      7.0811200              1.0000000
Au    I
      4.7311640              1.0000000
Au    I
      3.1727000              1.0000000
Au    I
      0.5503740              1.0000000
end
basis "Hg_aug-cc-pV5Z-PP-OPTRI" SPHERICAL 
#basis SET: (6s,7p,6d,6f,4g,3h,4i) -> [6s,7p,6d,6f,4g,3h,4i]
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    S
      1.8256000              1.0000000
Hg    S
      1.1414000              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
      6.2027000              1.0000000
Hg    P
      3.8825000              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
      3.7983000              1.0000000
Hg    D
      2.1417000              1.0000000
Hg    D
      1.1206540              1.0000000
Hg    F
     19.6282800              1.0000000
Hg    F
     13.0604100              1.0000000
Hg    F
      8.6979250              1.0000000
Hg    F
      5.7980360              1.0000000
Hg    F
      3.8692930              1.0000000
Hg    F
      0.2065580              1.0000000
Hg    G
     33.5988600              1.0000000
Hg    G
      6.3319450              1.0000000
Hg    G
      4.2381340              1.0000000
Hg    G
      0.8455860              1.0000000
Hg    H
      6.8749710              1.0000000
Hg    H
      4.0961740              1.0000000
Hg    H
      1.3804050              1.0000000
Hg    I
      7.5381580              1.0000000
Hg    I
      5.0346660              1.0000000
Hg    I
      3.3725000              1.0000000
Hg    I
      0.6201770              1.0000000
end
