# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# cc-pCVQZ-F12-OPTRI version number 0
# Description: cc-pCVQZ-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
# 
#  Li,Be,Na,Mg
#      cc-pCVQZ-F12-OPTRI
#          hill2010b
# 
#  B-Ne,Al-Ar
#      cc-pCVQZ-F12-OPTRI
#          hill2010a
# 
# 
# 
# hill2010a
#     Hill, J. Grant, Mazumder, Shivnath, Peterson, Kirk A.
#     Correlation consistent basis sets for molecular core-valence effects
#             with explicitly correlated wave functions: The atoms B-Ne and
#             Al-Ar
#     J. Chem. Phys. 132, 054108 (2010)
#     10.1063/1.3308483
# 
# 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
# 
# # 
basis "Li_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,6p,4d,3f,2g,1h) -> [6s,6p,4d,3f,2g,1h]
Li    S
     13.9981895              1.0000000
Li    S
      2.5561018              1.0000000
Li    S
      0.8280740              1.0000000
Li    S
      0.2488790              1.0000000
Li    S
      0.0646500              1.0000000
Li    S
      0.0301619              1.0000000
Li    P
     12.2775628              1.0000000
Li    P
      3.3076409              1.0000000
Li    P
      0.6180335              1.0000000
Li    P
      0.2297834              1.0000000
Li    P
      0.1095952              1.0000000
Li    P
      0.0443739              1.0000000
Li    D
      4.0233143              1.0000000
Li    D
      1.2189964              1.0000000
Li    D
      0.6375434              1.0000000
Li    D
      0.0694315              1.0000000
Li    F
      0.9454389              1.0000000
Li    F
      0.2698737              1.0000000
Li    F
      0.0543696              1.0000000
Li    G
      1.5108933              1.0000000
Li    G
      0.2548198              1.0000000
Li    H
      0.2146354              1.0000000
end
basis "Be_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,6p,4d,3f,2g,1h) -> [6s,6p,4d,3f,2g,1h]
Be    S
     35.5886190              1.0000000
Be    S
      3.5295214              1.0000000
Be    S
      1.1347533              1.0000000
Be    S
      0.6789828              1.0000000
Be    S
      0.1464629              1.0000000
Be    S
      0.0759645              1.0000000
Be    P
     38.7566165              1.0000000
Be    P
      6.4777965              1.0000000
Be    P
      1.4629764              1.0000000
Be    P
      0.8663593              1.0000000
Be    P
      0.3320433              1.0000000
Be    P
      0.1371140              1.0000000
Be    D
      3.4866588              1.0000000
Be    D
      0.6313387              1.0000000
Be    D
      0.3584863              1.0000000
Be    D
      0.1529038              1.0000000
Be    F
      1.5564830              1.0000000
Be    F
      0.8580755              1.0000000
Be    F
      0.3125031              1.0000000
Be    G
      3.8309627              1.0000000
Be    G
      0.4450533              1.0000000
Be    H
      0.4737481              1.0000000
end
basis "B_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,6p,4d,3f,2g,1h) -> [6s,6p,4d,3f,2g,1h]
B    S
     60.4079340              1.0000000
B    S
      7.2146010              1.0000000
B    S
      1.7622810              1.0000000
B    S
      0.7420700              1.0000000
B    S
      0.2667250              1.0000000
B    S
      0.1103910              1.0000000
B    P
     62.9782960              1.0000000
B    P
     16.1954040              1.0000000
B    P
      3.5155060              1.0000000
B    P
      1.0799230              1.0000000
B    P
      0.4429900              1.0000000
B    P
      0.1889990              1.0000000
B    D
      7.4902980              1.0000000
B    D
      1.5613770              1.0000000
B    D
      0.6389320              1.0000000
B    D
      0.2331160              1.0000000
B    F
      3.0898090              1.0000000
B    F
      0.6454110              1.0000000
B    F
      0.2440680              1.0000000
B    G
      1.4066610              1.0000000
B    G
      0.4977580              1.0000000
B    H
      0.7913280              1.0000000
end
basis "C_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,6p,4d,3f,2g,1h) -> [6s,6p,4d,3f,2g,1h]
C    S
     76.1864330              1.0000000
C    S
     10.1651720              1.0000000
C    S
      2.8376370              1.0000000
C    S
      1.0136440              1.0000000
C    S
      0.3934150              1.0000000
C    S
      0.1529870              1.0000000
C    P
     93.2129820              1.0000000
C    P
     24.3427230              1.0000000
C    P
      5.0891400              1.0000000
C    P
      1.8215290              1.0000000
C    P
      0.7093800              1.0000000
C    P
      0.2916430              1.0000000
C    D
      9.6292290              1.0000000
C    D
      2.1321890              1.0000000
C    D
      0.8173330              1.0000000
C    D
      0.3135240              1.0000000
C    F
      4.1855540              1.0000000
C    F
      0.9617580              1.0000000
C    F
      0.3947360              1.0000000
C    G
      1.7703130              1.0000000
C    G
      0.7872860              1.0000000
C    H
      1.2280910              1.0000000
end
basis "N_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,6p,4d,3f,2g,1h) -> [6s,6p,4d,3f,2g,1h]
N    S
     31.7721610              1.0000000
N    S
     13.0510960              1.0000000
N    S
      3.8720060              1.0000000
N    S
      1.4661220              1.0000000
N    S
      0.5297940              1.0000000
N    S
      0.2117240              1.0000000
N    P
     75.5071520              1.0000000
N    P
     32.0033990              1.0000000
N    P
      7.6731560              1.0000000
N    P
      2.5058920              1.0000000
N    P
      1.0027720              1.0000000
N    P
      0.4035580              1.0000000
N    D
     13.0555050              1.0000000
N    D
      3.3077660              1.0000000
N    D
      1.4401950              1.0000000
N    D
      0.4498040              1.0000000
N    F
      7.0814130              1.0000000
N    F
      1.4729140              1.0000000
N    F
      0.5958440              1.0000000
N    G
      2.3679240              1.0000000
N    G
      0.9342280              1.0000000
N    H
      1.6475850              1.0000000
end
basis "O_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,6p,4d,3f,2g,1h) -> [6s,6p,4d,3f,2g,1h]
O    S
     44.9604160              1.0000000
O    S
     17.2398880              1.0000000
O    S
      5.0128050              1.0000000
O    S
      1.8167550              1.0000000
O    S
      0.6910500              1.0000000
O    S
      0.2789730              1.0000000
O    P
     64.0000170              1.0000000
O    P
     35.0207020              1.0000000
O    P
      7.9415370              1.0000000
O    P
      3.5322650              1.0000000
O    P
      1.3606270              1.0000000
O    P
      0.5050090              1.0000000
O    D
     14.8318890              1.0000000
O    D
      4.7962490              1.0000000
O    D
      1.5681060              1.0000000
O    D
      0.5712930              1.0000000
O    F
     10.6949130              1.0000000
O    F
      1.9271970              1.0000000
O    F
      0.7989380              1.0000000
O    G
      3.0448960              1.0000000
O    G
      1.0657570              1.0000000
O    H
      2.1440060              1.0000000
end
basis "F_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,6p,4d,3f,2g,1h) -> [6s,6p,4d,3f,2g,1h]
F    S
     61.6215770              1.0000000
F    S
     22.5655610              1.0000000
F    S
      5.3029730              1.0000000
F    S
      2.3637430              1.0000000
F    S
      1.0742330              1.0000000
F    S
      0.7925780              1.0000000
F    P
     70.7448220              1.0000000
F    P
     32.9620730              1.0000000
F    P
     12.4455010              1.0000000
F    P
      4.3287310              1.0000000
F    P
      1.6621160              1.0000000
F    P
      0.6261470              1.0000000
F    D
     13.9091000              1.0000000
F    D
      6.1698000              1.0000000
F    D
      2.1530950              1.0000000
F    D
      0.6374730              1.0000000
F    F
     13.2819980              1.0000000
F    F
      2.6304930              1.0000000
F    F
      0.9778970              1.0000000
F    G
      3.9222550              1.0000000
F    G
      1.4145240              1.0000000
F    H
      2.8076760              1.0000000
end
basis "Ne_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,6p,4d,3f,2g,1h) -> [6s,6p,4d,3f,2g,1h]
Ne    S
     72.2877130              1.0000000
Ne    S
     26.4248680              1.0000000
Ne    S
      7.5246400              1.0000000
Ne    S
      2.7051910              1.0000000
Ne    S
      1.1862450              1.0000000
Ne    S
      0.4304540              1.0000000
Ne    P
     82.6583460              1.0000000
Ne    P
     34.8197540              1.0000000
Ne    P
     12.3433500              1.0000000
Ne    P
      5.4169100              1.0000000
Ne    P
      1.9905300              1.0000000
Ne    P
      0.7848810              1.0000000
Ne    D
     17.8246950              1.0000000
Ne    D
      7.9633550              1.0000000
Ne    D
      2.6879220              1.0000000
Ne    D
      0.8258700              1.0000000
Ne    F
     20.3944870              1.0000000
Ne    F
      4.1220730              1.0000000
Ne    F
      1.5224920              1.0000000
Ne    G
     10.0620560              1.0000000
Ne    G
      2.1651370              1.0000000
Ne    H
      3.4504930              1.0000000
end
basis "Na_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (7s,7p,6d,5f,4g,1h) -> [7s,7p,6d,5f,4g,1h]
Na    S
     21.8913951              1.0000000
Na    S
      8.6291823              1.0000000
Na    S
      2.2968716              1.0000000
Na    S
      1.5190769              1.0000000
Na    S
      0.2642263              1.0000000
Na    S
      0.0545049              1.0000000
Na    S
      0.0260137              1.0000000
Na    P
     19.1996576              1.0000000
Na    P
      8.7730903              1.0000000
Na    P
      4.6617140              1.0000000
Na    P
      1.4368690              1.0000000
Na    P
      0.4001723              1.0000000
Na    P
      0.1745833              1.0000000
Na    P
      0.0771366              1.0000000
Na    D
     23.7415915              1.0000000
Na    D
     11.2179881              1.0000000
Na    D
      2.8629093              1.0000000
Na    D
      1.1682685              1.0000000
Na    D
      0.7472029              1.0000000
Na    D
      0.1779187              1.0000000
Na    F
     12.3543529              1.0000000
Na    F
      1.9334214              1.0000000
Na    F
      0.8292575              1.0000000
Na    F
      0.2363150              1.0000000
Na    F
      0.1406358              1.0000000
Na    G
     12.2645731              1.0000000
Na    G
      4.4384015              1.0000000
Na    G
      1.6473352              1.0000000
Na    G
      0.2056775              1.0000000
Na    H
      0.0919160              1.0000000
end
basis "Mg_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (7s,7p,6d,5f,4g,1h) -> [7s,7p,6d,5f,4g,1h]
Mg    S
     17.7524667              1.0000000
Mg    S
      9.5993234              1.0000000
Mg    S
      2.6652214              1.0000000
Mg    S
      1.1790226              1.0000000
Mg    S
      0.2607942              1.0000000
Mg    S
      0.1002906              1.0000000
Mg    S
      0.0487505              1.0000000
Mg    P
     21.5115656              1.0000000
Mg    P
      8.7080543              1.0000000
Mg    P
      2.4185132              1.0000000
Mg    P
      0.6225923              1.0000000
Mg    P
      0.2322582              1.0000000
Mg    P
      0.1218831              1.0000000
Mg    P
      0.0629715              1.0000000
Mg    D
     34.1060098              1.0000000
Mg    D
     18.5188040              1.0000000
Mg    D
      3.9148607              1.0000000
Mg    D
      1.0057458              1.0000000
Mg    D
      0.2727999              1.0000000
Mg    D
      0.1527236              1.0000000
Mg    F
     12.6273547              1.0000000
Mg    F
      7.3492315              1.0000000
Mg    F
      1.7641140              1.0000000
Mg    F
      0.6931314              1.0000000
Mg    F
      0.2326890              1.0000000
Mg    G
     13.9831536              1.0000000
Mg    G
      1.0105699              1.0000000
Mg    G
      0.6665759              1.0000000
Mg    G
      0.5124749              1.0000000
Mg    H
      0.1189690              1.0000000
end
basis "Al_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (7s,7p,6d,5f,4g,1h) -> [7s,7p,6d,5f,4g,1h]
Al    S
     34.0509000              1.0000000
Al    S
     13.7383650              1.0000000
Al    S
      3.6151300              1.0000000
Al    S
      1.6185210              1.0000000
Al    S
      0.3647150              1.0000000
Al    S
      0.1640640              1.0000000
Al    S
      0.0731770              1.0000000
Al    P
     29.9223510              1.0000000
Al    P
     15.2715620              1.0000000
Al    P
      4.7643490              1.0000000
Al    P
      2.6466890              1.0000000
Al    P
      1.0978820              1.0000000
Al    P
      0.3877210              1.0000000
Al    P
      0.1462580              1.0000000
Al    D
     54.9111570              1.0000000
Al    D
      9.3814300              1.0000000
Al    D
      2.8869820              1.0000000
Al    D
      0.9161890              1.0000000
Al    D
      0.4006400              1.0000000
Al    D
      0.1479920              1.0000000
Al    F
     20.6632770              1.0000000
Al    F
      2.7031660              1.0000000
Al    F
      1.5545880              1.0000000
Al    F
      0.4317420              1.0000000
Al    F
      0.1860860              1.0000000
Al    G
     10.6839060              1.0000000
Al    G
      3.4423090              1.0000000
Al    G
      0.5647650              1.0000000
Al    G
      0.2514080              1.0000000
Al    H
      0.4259410              1.0000000
end
basis "Si_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (7s,7p,6d,5f,4g,1h) -> [7s,7p,6d,5f,4g,1h]
Si    S
     46.2352960              1.0000000
Si    S
     21.3379470              1.0000000
Si    S
      4.5884350              1.0000000
Si    S
      1.4434650              1.0000000
Si    S
      0.6118550              1.0000000
Si    S
      0.2255760              1.0000000
Si    S
      0.0981240              1.0000000
Si    P
     41.0119560              1.0000000
Si    P
     19.2337200              1.0000000
Si    P
      7.4720230              1.0000000
Si    P
      3.7814350              1.0000000
Si    P
      1.3561980              1.0000000
Si    P
      0.5398480              1.0000000
Si    P
      0.2069780              1.0000000
Si    D
     68.2433780              1.0000000
Si    D
     12.7364200              1.0000000
Si    D
      3.7883230              1.0000000
Si    D
      1.1895930              1.0000000
Si    D
      0.4653410              1.0000000
Si    D
      0.1850710              1.0000000
Si    F
     24.7664040              1.0000000
Si    F
      3.1978280              1.0000000
Si    F
      1.7671480              1.0000000
Si    F
      0.7897380              1.0000000
Si    F
      0.2459470              1.0000000
Si    G
      9.5536300              1.0000000
Si    G
      2.5795310              1.0000000
Si    G
      0.8194200              1.0000000
Si    G
      0.3652660              1.0000000
Si    H
      0.5748240              1.0000000
end
basis "P_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (7s,7p,6d,5f,4g,1h) -> [7s,7p,6d,5f,4g,1h]
P    S
     66.0441310              1.0000000
P    S
     25.7061690              1.0000000
P    S
      5.6702240              1.0000000
P    S
      3.4939170              1.0000000
P    S
      0.7265990              1.0000000
P    S
      0.2912100              1.0000000
P    S
      0.1265670              1.0000000
P    P
     53.2918070              1.0000000
P    P
     29.2510470              1.0000000
P    P
      8.8280760              1.0000000
P    P
      4.4039730              1.0000000
P    P
      1.5394090              1.0000000
P    P
      0.6456720              1.0000000
P    P
      0.2648590              1.0000000
P    D
     85.3172410              1.0000000
P    D
     18.8922810              1.0000000
P    D
      5.0907180              1.0000000
P    D
      1.6822260              1.0000000
P    D
      0.6245790              1.0000000
P    D
      0.2778710              1.0000000
P    F
     28.1561570              1.0000000
P    F
      3.7100790              1.0000000
P    F
      2.2487470              1.0000000
P    F
      0.9963360              1.0000000
P    F
      0.3054280              1.0000000
P    G
     10.2170680              1.0000000
P    G
      2.1524230              1.0000000
P    G
      0.9637230              1.0000000
P    G
      0.4289660              1.0000000
P    H
      0.7461110              1.0000000
end
basis "S_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (7s,7p,6d,5f,4g,1h) -> [7s,7p,6d,5f,4g,1h]
S    S
     56.2584100              1.0000000
S    S
     29.5603050              1.0000000
S    S
      9.7285700              1.0000000
S    S
      4.7127460              1.0000000
S    S
      0.8160570              1.0000000
S    S
      0.3626530              1.0000000
S    S
      0.1551700              1.0000000
S    P
     64.4361910              1.0000000
S    P
     27.9292810              1.0000000
S    P
     10.3787690              1.0000000
S    P
      5.1683920              1.0000000
S    P
      1.6650200              1.0000000
S    P
      0.7309130              1.0000000
S    P
      0.3119590              1.0000000
S    D
    108.5780020              1.0000000
S    D
     28.7210320              1.0000000
S    D
      6.0462400              1.0000000
S    D
      2.0552010              1.0000000
S    D
      0.7638430              1.0000000
S    D
      0.3406210              1.0000000
S    F
     36.9502200              1.0000000
S    F
      6.7799670              1.0000000
S    F
      2.5187470              1.0000000
S    F
      1.3950060              1.0000000
S    F
      0.4100400              1.0000000
S    G
     13.9523210              1.0000000
S    G
      3.6354330              1.0000000
S    G
      1.1602820              1.0000000
S    G
      0.5190310              1.0000000
S    H
      0.9044160              1.0000000
end
basis "Cl_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (7s,7p,6d,5f,4g,1h) -> [7s,7p,6d,5f,4g,1h]
Cl    S
     92.1391350              1.0000000
Cl    S
     33.1737740              1.0000000
Cl    S
      6.9134760              1.0000000
Cl    S
      4.4176370              1.0000000
Cl    S
      0.9898040              1.0000000
Cl    S
      0.4389440              1.0000000
Cl    S
      0.1894230              1.0000000
Cl    P
    104.1428550              1.0000000
Cl    P
     37.7657330              1.0000000
Cl    P
     12.7982560              1.0000000
Cl    P
      5.5964850              1.0000000
Cl    P
      1.9213790              1.0000000
Cl    P
      0.8494330              1.0000000
Cl    P
      0.3546840              1.0000000
Cl    D
    180.3775040              1.0000000
Cl    D
     31.8361660              1.0000000
Cl    D
      7.2361300              1.0000000
Cl    D
      2.4000630              1.0000000
Cl    D
      0.8895510              1.0000000
Cl    D
      0.3975250              1.0000000
Cl    F
     43.1222600              1.0000000
Cl    F
      8.0293300              1.0000000
Cl    F
      3.0844900              1.0000000
Cl    F
      1.6211210              1.0000000
Cl    F
      0.4755200              1.0000000
Cl    G
     16.5707360              1.0000000
Cl    G
      4.2170660              1.0000000
Cl    G
      1.3248730              1.0000000
Cl    G
      0.5920030              1.0000000
Cl    H
      1.0828430              1.0000000
end
basis "Ar_cc-pCVQZ-F12-OPTRI" SPHERICAL 
#basis SET: (7s,7p,6d,5f,4g,1h) -> [7s,7p,6d,5f,4g,1h]
Ar    S
     99.5045930              1.0000000
Ar    S
     37.6314800              1.0000000
Ar    S
      7.7482050              1.0000000
Ar    S
      3.7684420              1.0000000
Ar    S
      1.1640610              1.0000000
Ar    S
      0.5202960              1.0000000
Ar    S
      0.2234450              1.0000000
Ar    P
    101.6225630              1.0000000
Ar    P
     39.9804920              1.0000000
Ar    P
     14.2965150              1.0000000
Ar    P
      4.9825950              1.0000000
Ar    P
      2.2142550              1.0000000
Ar    P
      0.9791800              1.0000000
Ar    P
      0.4371150              1.0000000
Ar    D
    226.1613050              1.0000000
Ar    D
     41.0781370              1.0000000
Ar    D
      8.9003690              1.0000000
Ar    D
      3.1563260              1.0000000
Ar    D
      1.0702530              1.0000000
Ar    D
      0.4820300              1.0000000
Ar    F
     54.4659450              1.0000000
Ar    F
     11.6337010              1.0000000
Ar    F
      3.8111240              1.0000000
Ar    F
      2.0335940              1.0000000
Ar    F
      0.5825760              1.0000000
Ar    G
     18.9623250              1.0000000
Ar    G
      5.3209860              1.0000000
Ar    G
      1.9886100              1.0000000
Ar    G
      0.7534450              1.0000000
Ar    H
      1.2565380              1.0000000
end
