# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# cc-pVQZ-F12-OPTRI version number 0
# Description: cc-pVQZ-F12-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
# 
#  H,B-Ne,Al-Ar
#      cc-pVQZ-F12-OPTRI
#          yousaf2008a
# 
#  Li,Be,Na,Mg
#      cc-pVQZ-F12-OPTRI
#          hill2010b
# 
# 
# 
# hill2010b
#     Hill, J. Grant, Peterson, Kirk A.
#     Correlation consistent basis sets for explicitly correlated
#             wavefunctions: valence and core-valence basis sets for Li, Be,
#             Na, and Mg
#     Phys. Chem. Chem. Phys. 12, 10460 (2010)
#     10.1039/c0cp00020e
# 
# yousaf2008a
#     Yousaf, Kazim E., Peterson, Kirk A.
#     Optimized auxiliary basis sets for explicitly correlated methods
#     J. Chem. Phys. 129, 184108 (2008)
#     10.1063/1.3009271
# 
# # 
basis "H_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (3s,3p,3d,2f,1g) -> [3s,3p,3d,2f,1g]
H    S
      4.5036230              1.0000000
H    S
      0.7095380              1.0000000
H    S
      0.2728160              1.0000000
H    P
      5.7379170              1.0000000
H    P
      1.8673940              1.0000000
H    P
      0.7057400              1.0000000
H    D
      5.1560940              1.0000000
H    D
      1.6726280              1.0000000
H    D
      0.5278380              1.0000000
H    F
      2.0776200              1.0000000
H    F
      1.0394240              1.0000000
H    G
      1.2607870              1.0000000
end
basis "Li_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
Li    S
      0.8451985              1.0000000
Li    S
      0.2488790              1.0000000
Li    S
      0.0646500              1.0000000
Li    S
      0.0301619              1.0000000
Li    P
      1.0857542              1.0000000
Li    P
      0.2297834              1.0000000
Li    P
      0.1095952              1.0000000
Li    P
      0.0443739              1.0000000
Li    D
      2.5069256              1.0000000
Li    D
      1.2189964              1.0000000
Li    D
      0.6375434              1.0000000
Li    D
      0.0694315              1.0000000
Li    F
      0.6821848              1.0000000
Li    F
      0.2698737              1.0000000
Li    F
      0.0543696              1.0000000
Li    G
      0.7895759              1.0000000
Li    G
      0.2548198              1.0000000
Li    H
      0.2146354              1.0000000
end
basis "Be_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
Be    S
      1.1538476              1.0000000
Be    S
      0.6789828              1.0000000
Be    S
      0.1464629              1.0000000
Be    S
      0.0759645              1.0000000
Be    P
      2.6789666              1.0000000
Be    P
      0.8663593              1.0000000
Be    P
      0.3320433              1.0000000
Be    P
      0.1371140              1.0000000
Be    D
      3.3831501              1.0000000
Be    D
      0.6313387              1.0000000
Be    D
      0.3584863              1.0000000
Be    D
      0.1529038              1.0000000
Be    F
      1.5661094              1.0000000
Be    F
      0.8580755              1.0000000
Be    F
      0.3125031              1.0000000
Be    G
      0.4468738              1.0000000
Be    G
      0.2180355              1.0000000
Be    H
      0.4737481              1.0000000
end
basis "B_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
B    S
      2.1105330              1.0000000
B    S
      0.7420700              1.0000000
B    S
      0.2667250              1.0000000
B    S
      0.1103910              1.0000000
B    P
      3.5058890              1.0000000
B    P
      1.0799220              1.0000000
B    P
      0.4429900              1.0000000
B    P
      0.1889990              1.0000000
B    D
      5.6166780              1.0000000
B    D
      1.5613770              1.0000000
B    D
      0.6389320              1.0000000
B    D
      0.2331160              1.0000000
B    F
      3.1584850              1.0000000
B    F
      0.6454110              1.0000000
B    F
      0.2440680              1.0000000
B    G
      2.4757010              1.0000000
B    G
      0.4977580              1.0000000
B    H
      0.7913280              1.0000000
end
basis "C_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
C    S
      2.6044130              1.0000000
C    S
      1.0136440              1.0000000
C    S
      0.3934150              1.0000000
C    S
      0.1529870              1.0000000
C    P
      4.2465330              1.0000000
C    P
      1.8215290              1.0000000
C    P
      0.7093800              1.0000000
C    P
      0.2916430              1.0000000
C    D
     12.1049290              1.0000000
C    D
      2.1321890              1.0000000
C    D
      0.8173330              1.0000000
C    D
      0.3135240              1.0000000
C    F
      3.4645270              1.0000000
C    F
      0.9617580              1.0000000
C    F
      0.3947360              1.0000000
C    G
      2.8334410              1.0000000
C    G
      0.7872860              1.0000000
C    H
      1.2280910              1.0000000
end
basis "N_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
N    S
      3.3139220              1.0000000
N    S
      1.4661220              1.0000000
N    S
      0.5297940              1.0000000
N    S
      0.2117240              1.0000000
N    P
      5.9904360              1.0000000
N    P
      2.5058920              1.0000000
N    P
      1.0027720              1.0000000
N    P
      0.4035580              1.0000000
N    D
     19.0372110              1.0000000
N    D
      3.3077660              1.0000000
N    D
      1.4401950              1.0000000
N    D
      0.4498040              1.0000000
N    F
      6.0179280              1.0000000
N    F
      1.4729140              1.0000000
N    F
      0.5958440              1.0000000
N    G
      2.9062130              1.0000000
N    G
      0.9342280              1.0000000
N    H
      1.6475850              1.0000000
end
basis "O_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
O    S
      4.1702850              1.0000000
O    S
      1.8167550              1.0000000
O    S
      0.6910500              1.0000000
O    S
      0.2789730              1.0000000
O    P
      8.0171350              1.0000000
O    P
      3.5322650              1.0000000
O    P
      1.3606270              1.0000000
O    P
      0.5050090              1.0000000
O    D
     37.7626240              1.0000000
O    D
      4.7962490              1.0000000
O    D
      1.5681060              1.0000000
O    D
      0.5712930              1.0000000
O    F
      9.1702390              1.0000000
O    F
      1.9271970              1.0000000
O    F
      0.7989380              1.0000000
O    G
      3.4045330              1.0000000
O    G
      1.0657570              1.0000000
O    H
      2.1440060              1.0000000
end
basis "F_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
F    S
      5.3056940              1.0000000
F    S
      2.3637430              1.0000000
F    S
      1.0742330              1.0000000
F    S
      0.7925780              1.0000000
F    P
     12.0196740              1.0000000
F    P
      4.3287310              1.0000000
F    P
      1.6621160              1.0000000
F    P
      0.6261470              1.0000000
F    D
     49.1089160              1.0000000
F    D
      6.1698000              1.0000000
F    D
      2.1530950              1.0000000
F    D
      0.6374730              1.0000000
F    F
     12.1619320              1.0000000
F    F
      2.6304930              1.0000000
F    F
      0.9778970              1.0000000
F    G
      4.4554500              1.0000000
F    G
      1.4145240              1.0000000
F    H
      2.8076760              1.0000000
end
basis "Ne_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
Ne    S
      7.3610750              1.0000000
Ne    S
      2.7051910              1.0000000
Ne    S
      1.1862450              1.0000000
Ne    S
      0.4304540              1.0000000
Ne    P
     15.9188030              1.0000000
Ne    P
      5.4169100              1.0000000
Ne    P
      1.9905300              1.0000000
Ne    P
      0.7848810              1.0000000
Ne    D
     60.0312080              1.0000000
Ne    D
      7.9633550              1.0000000
Ne    D
      2.6879220              1.0000000
Ne    D
      0.8258700              1.0000000
Ne    F
     20.7009180              1.0000000
Ne    F
      4.1220730              1.0000000
Ne    F
      1.5224920              1.0000000
Ne    G
     10.7594470              1.0000000
Ne    G
      2.1651370              1.0000000
Ne    H
      3.4504930              1.0000000
end
basis "Na_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
Na    S
      0.9707935              1.0000000
Na    S
      0.2642263              1.0000000
Na    S
      0.0545049              1.0000000
Na    S
      0.0260137              1.0000000
Na    P
      0.9788400              1.0000000
Na    P
      0.4001723              1.0000000
Na    P
      0.1745833              1.0000000
Na    P
      0.0771366              1.0000000
Na    D
      6.8189293              1.0000000
Na    D
      1.1646110              1.0000000
Na    D
      0.7472029              1.0000000
Na    D
      0.1779187              1.0000000
Na    F
      0.7656361              1.0000000
Na    F
      0.2363150              1.0000000
Na    F
      0.1406358              1.0000000
Na    G
      0.2680699              1.0000000
Na    G
      0.2056775              1.0000000
Na    H
      0.0919160              1.0000000
end
basis "Mg_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
Mg    S
      1.3130881              1.0000000
Mg    S
      0.2607942              1.0000000
Mg    S
      0.1002906              1.0000000
Mg    S
      0.0487505              1.0000000
Mg    P
      1.0245929              1.0000000
Mg    P
      0.2322582              1.0000000
Mg    P
      0.1218831              1.0000000
Mg    P
      0.0629715              1.0000000
Mg    D
      3.9988663              1.0000000
Mg    D
      1.1973808              1.0000000
Mg    D
      0.2727999              1.0000000
Mg    D
      0.1527236              1.0000000
Mg    F
      1.6372414              1.0000000
Mg    F
      0.6931314              1.0000000
Mg    F
      0.2326890              1.0000000
Mg    G
      0.6677045              1.0000000
Mg    G
      0.5124749              1.0000000
Mg    H
      0.1189690              1.0000000
end
basis "Al_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
Al    S
      1.5831250              1.0000000
Al    S
      0.3647150              1.0000000
Al    S
      0.1640640              1.0000000
Al    S
      0.0731770              1.0000000
Al    P
      3.7438100              1.0000000
Al    P
      1.0978820              1.0000000
Al    P
      0.3877210              1.0000000
Al    P
      0.1462580              1.0000000
Al    D
      7.8212630              1.0000000
Al    D
      2.2148500              1.0000000
Al    D
      0.9161890              1.0000000
Al    D
      0.4006400              1.0000000
Al    F
      1.8328190              1.0000000
Al    F
      0.4317420              1.0000000
Al    F
      0.1860860              1.0000000
Al    G
      0.5636260              1.0000000
Al    G
      0.2514080              1.0000000
Al    H
      0.4259410              1.0000000
end
basis "Si_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
Si    S
      2.1372760              1.0000000
Si    S
      0.6118550              1.0000000
Si    S
      0.2255760              1.0000000
Si    S
      0.0981240              1.0000000
Si    P
      6.1969090              1.0000000
Si    P
      1.3561980              1.0000000
Si    P
      0.5398480              1.0000000
Si    P
      0.2069780              1.0000000
Si    D
     12.8590800              1.0000000
Si    D
      3.1943340              1.0000000
Si    D
      1.1895930              1.0000000
Si    D
      0.4653410              1.0000000
Si    F
      4.1687840              1.0000000
Si    F
      0.7897380              1.0000000
Si    F
      0.2459470              1.0000000
Si    G
      0.8182670              1.0000000
Si    G
      0.3652660              1.0000000
Si    H
      0.5748240              1.0000000
end
basis "P_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
P    S
      2.6534790              1.0000000
P    S
      0.7265990              1.0000000
P    S
      0.2912100              1.0000000
P    S
      0.1265670              1.0000000
P    P
      7.9649920              1.0000000
P    P
      1.5394090              1.0000000
P    P
      0.6456720              1.0000000
P    P
      0.2648590              1.0000000
P    D
     37.5488020              1.0000000
P    D
      4.1936140              1.0000000
P    D
      1.6822260              1.0000000
P    D
      0.6245790              1.0000000
P    F
      8.4731510              1.0000000
P    F
      0.9963360              1.0000000
P    F
      0.3054280              1.0000000
P    G
      0.9593250              1.0000000
P    G
      0.4289660              1.0000000
P    H
      0.7461110              1.0000000
end
basis "S_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
S    S
      3.0754480              1.0000000
S    S
      0.8160570              1.0000000
S    S
      0.3626530              1.0000000
S    S
      0.1551700              1.0000000
S    P
     21.4374970              1.0000000
S    P
      1.6650200              1.0000000
S    P
      0.7309130              1.0000000
S    P
      0.3119590              1.0000000
S    D
     46.8738850              1.0000000
S    D
      7.2576490              1.0000000
S    D
      2.0552010              1.0000000
S    D
      0.7638430              1.0000000
S    F
     12.7589420              1.0000000
S    F
      1.3950060              1.0000000
S    F
      0.4100400              1.0000000
S    G
      1.1580280              1.0000000
S    G
      0.5190310              1.0000000
S    H
      0.9044160              1.0000000
end
basis "Cl_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
Cl    S
      3.6457060              1.0000000
Cl    S
      0.9898040              1.0000000
Cl    S
      0.4389440              1.0000000
Cl    S
      0.1894230              1.0000000
Cl    P
     20.8097850              1.0000000
Cl    P
      1.9213790              1.0000000
Cl    P
      0.8494330              1.0000000
Cl    P
      0.3546840              1.0000000
Cl    D
     66.0174190              1.0000000
Cl    D
      6.4342110              1.0000000
Cl    D
      2.4000630              1.0000000
Cl    D
      0.8895510              1.0000000
Cl    F
     13.9596550              1.0000000
Cl    F
      1.6211210              1.0000000
Cl    F
      0.4755200              1.0000000
Cl    G
      1.3151680              1.0000000
Cl    G
      0.5920030              1.0000000
Cl    H
      1.0828430              1.0000000
end
basis "Ar_cc-pVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (4s,4p,4d,3f,2g,1h) -> [4s,4p,4d,3f,2g,1h]
Ar    S
      4.2449090              1.0000000
Ar    S
      1.1640610              1.0000000
Ar    S
      0.5202960              1.0000000
Ar    S
      0.2234450              1.0000000
Ar    P
     20.2510490              1.0000000
Ar    P
      2.2142550              1.0000000
Ar    P
      0.9791800              1.0000000
Ar    P
      0.4371150              1.0000000
Ar    D
     88.0208220              1.0000000
Ar    D
      8.0383820              1.0000000
Ar    D
      3.1563260              1.0000000
Ar    D
      1.0702530              1.0000000
Ar    F
     15.5953400              1.0000000
Ar    F
      2.0335940              1.0000000
Ar    F
      0.5825760              1.0000000
Ar    G
      1.9845950              1.0000000
Ar    G
      0.7534450              1.0000000
Ar    H
      1.2565380              1.0000000
end
