# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# aug-cc-pVQZ-OPTRI version number 0
# Description: aug-cc-pVQZ-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,He,B-Ne,Al-Ar
#      aug-cc-pVQZ-OPTRI
#          yousaf2009a
# 
# 
# 
# yousaf2009a
#     Yousaf, Kazim E., Peterson, Kirk A.
#     Optimized complementary auxiliary basis sets for explicitly correlated
#             methods: aug-cc-pVnZ orbital basis sets
#     Chem. Phys. Lett. 476, 303-307 (2009)
#     10.1016/j.cplett.2009.06.003
# 
# # 
basis "H_aug-cc-pVQZ-OPTRI" SPHERICAL 
#basis SET: (4s,4p,3d,2f,2g) -> [4s,4p,3d,2f,2g]
H    S
      7.7444780              1.0000000
H    S
      2.1714680              1.0000000
H    S
      0.4626660              1.0000000
H    S
      0.1722020              1.0000000
H    P
     11.0943570              1.0000000
H    P
      7.3170250              1.0000000
H    P
      1.2597710              1.0000000
H    P
      0.5442120              1.0000000
H    D
      3.0868860              1.0000000
H    D
      1.1466900              1.0000000
H    D
      0.4119370              1.0000000
H    F
      2.2506970              1.0000000
H    F
      0.7980390              1.0000000
H    G
      2.0693450              1.0000000
H    G
      1.0306510              1.0000000
end
basis "He_aug-cc-pVQZ-OPTRI" SPHERICAL 
#basis SET: (4s,4p,3d,2f,2g) -> [4s,4p,3d,2f,2g]
He    S
     12.9408090              1.0000000
He    S
      3.8954350              1.0000000
He    S
      0.7947010              1.0000000
He    S
      0.2726460              1.0000000
He    P
     17.3819380              1.0000000
He    P
     11.5992630              1.0000000
He    P
      2.6042550              1.0000000
He    P
      0.8469580              1.0000000
He    D
      9.3968330              1.0000000
He    D
      2.3838510              1.0000000
He    D
      0.7137540              1.0000000
He    F
      4.2325560              1.0000000
He    F
      1.5962640              1.0000000
He    G
      5.1142230              1.0000000
He    G
      1.6878750              1.0000000
end
basis "B_aug-cc-pVQZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g,1h) -> [4s,5p,4d,3f,2g,1h]
B    S
      1.2546950              1.0000000
B    S
      0.3139120              1.0000000
B    S
      0.1229490              1.0000000
B    S
      0.0478370              1.0000000
B    P
      2.5102350              1.0000000
B    P
      1.1138940              1.0000000
B    P
      0.3362010              1.0000000
B    P
      0.0968670              1.0000000
B    P
      0.0281810              1.0000000
B    D
      1.6616030              1.0000000
B    D
      0.6023610              1.0000000
B    D
      0.2591430              1.0000000
B    D
      0.0711250              1.0000000
B    F
      2.3204290              1.0000000
B    F
      0.5883900              1.0000000
B    F
      0.2075830              1.0000000
B    G
      1.1746950              1.0000000
B    G
      0.4496020              1.0000000
B    H
      0.7715350              1.0000000
end
basis "C_aug-cc-pVQZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g,1h) -> [4s,5p,4d,3f,2g,1h]
C    S
      1.9243280              1.0000000
C    S
      0.4328350              1.0000000
C    S
      0.1658680              1.0000000
C    S
      0.0623110              1.0000000
C    P
      3.1349440              1.0000000
C    P
      1.2217570              1.0000000
C    P
      0.1513110              1.0000000
C    P
      0.0690850              1.0000000
C    P
      0.0470590              1.0000000
C    D
      3.1104010              1.0000000
C    D
      1.2349710              1.0000000
C    D
      0.3390880              1.0000000
C    D
      0.1146930              1.0000000
C    F
      3.4522250              1.0000000
C    F
      0.7262480              1.0000000
C    F
      0.3144250              1.0000000
C    G
      2.1908090              1.0000000
C    G
      0.6759270              1.0000000
C    H
      1.1556570              1.0000000
end
basis "N_aug-cc-pVQZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g,1h) -> [4s,5p,4d,3f,2g,1h]
N    S
      2.7220260              1.0000000
N    S
      0.6975340              1.0000000
N    S
      0.2301430              1.0000000
N    S
      0.0821780              1.0000000
N    P
      5.1216190              1.0000000
N    P
      1.7516440              1.0000000
N    P
      0.6243640              1.0000000
N    P
      0.2134000              1.0000000
N    P
      0.0867810              1.0000000
N    D
      7.4942200              1.0000000
N    D
      1.4399890              1.0000000
N    D
      0.5010470              1.0000000
N    D
      0.1649940              1.0000000
N    F
      4.9267430              1.0000000
N    F
      1.0251810              1.0000000
N    F
      0.3668960              1.0000000
N    G
      3.0053740              1.0000000
N    G
      0.9546390              1.0000000
N    H
      1.7316070              1.0000000
end
basis "O_aug-cc-pVQZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g,1h) -> [4s,5p,4d,3f,2g,1h]
O    S
      3.1804370              1.0000000
O    S
      0.8484970              1.0000000
O    S
      0.3180600              1.0000000
O    S
      0.1094320              1.0000000
O    P
      7.3093280              1.0000000
O    P
      2.2839630              1.0000000
O    P
      0.7939460              1.0000000
O    P
      0.3017470              1.0000000
O    P
      0.0973300              1.0000000
O    D
     11.2588150              1.0000000
O    D
      2.1421780              1.0000000
O    D
      0.7940130              1.0000000
O    D
      0.2655830              1.0000000
O    F
      6.4363930              1.0000000
O    F
      1.2790620              1.0000000
O    F
      0.5494640              1.0000000
O    G
      4.2574940              1.0000000
O    G
      1.0899390              1.0000000
O    H
      2.1049590              1.0000000
end
basis "F_aug-cc-pVQZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g,1h) -> [4s,5p,4d,3f,2g,1h]
F    S
      4.1774050              1.0000000
F    S
      1.2320460              1.0000000
F    S
      0.4138870              1.0000000
F    S
      0.1367700              1.0000000
F    P
      9.8346700              1.0000000
F    P
      3.3380770              1.0000000
F    P
      1.0022450              1.0000000
F    P
      0.3818910              1.0000000
F    P
      0.1391280              1.0000000
F    D
     15.7298660              1.0000000
F    D
      3.3201790              1.0000000
F    D
      0.9974360              1.0000000
F    D
      0.3183440              1.0000000
F    F
      8.6470450              1.0000000
F    F
      1.7123570              1.0000000
F    F
      0.7430640              1.0000000
F    G
      5.6578130              1.0000000
F    G
      1.3842310              1.0000000
F    H
      2.6820580              1.0000000
end
basis "Ne_aug-cc-pVQZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g,1h) -> [4s,5p,4d,3f,2g,1h]
Ne    S
      5.4868980              1.0000000
Ne    S
      1.5089680              1.0000000
Ne    S
      0.5161530              1.0000000
Ne    S
      0.2164320              1.0000000
Ne    P
     12.3595990              1.0000000
Ne    P
      4.4976630              1.0000000
Ne    P
      1.2654060              1.0000000
Ne    P
      0.4371860              1.0000000
Ne    P
      0.1224020              1.0000000
Ne    D
     20.9096040              1.0000000
Ne    D
      3.7248250              1.0000000
Ne    D
      1.3438770              1.0000000
Ne    D
      0.4094610              1.0000000
Ne    F
     11.3404650              1.0000000
Ne    F
      2.2707860              1.0000000
Ne    F
      1.0245580              1.0000000
Ne    G
      7.3978120              1.0000000
Ne    G
      1.9949970              1.0000000
Ne    H
      3.3789810              1.0000000
end
basis "Al_aug-cc-pVQZ-OPTRI" SPHERICAL 
#basis SET: (5s,5p,4d,3f,2g,1h) -> [5s,5p,4d,3f,2g,1h]
Al    S
      4.6451000              1.0000000
Al    S
      1.0577050              1.0000000
Al    S
      0.4654760              1.0000000
Al    S
      0.1705880              1.0000000
Al    S
      0.0753220              1.0000000
Al    P
      8.4778910              1.0000000
Al    P
      2.6481590              1.0000000
Al    P
      0.8619480              1.0000000
Al    P
      0.5741500              1.0000000
Al    P
      0.1648890              1.0000000
Al    D
      9.8240030              1.0000000
Al    D
      3.7944930              1.0000000
Al    D
      0.7324450              1.0000000
Al    D
      0.2917770              1.0000000
Al    F
      2.1573740              1.0000000
Al    F
      0.2676460              1.0000000
Al    F
      0.0979050              1.0000000
Al    G
      0.5342440              1.0000000
Al    G
      0.2383400              1.0000000
Al    H
      0.4025270              1.0000000
end
basis "Si_aug-cc-pVQZ-OPTRI" SPHERICAL 
#basis SET: (5s,5p,4d,3f,2g,1h) -> [5s,5p,4d,3f,2g,1h]
Si    S
      6.8310980              1.0000000
Si    S
      1.4085780              1.0000000
Si    S
      0.5580080              1.0000000
Si    S
      0.2472680              1.0000000
Si    S
      0.1130090              1.0000000
Si    P
     11.3230920              1.0000000
Si    P
      4.2037180              1.0000000
Si    P
      0.9957110              1.0000000
Si    P
      0.6133260              1.0000000
Si    P
      0.2514640              1.0000000
Si    D
     12.7034610              1.0000000
Si    D
      3.9804820              1.0000000
Si    D
      0.9141630              1.0000000
Si    D
      0.4059280              1.0000000
Si    F
      3.0019900              1.0000000
Si    F
      0.3616150              1.0000000
Si    F
      0.1413000              1.0000000
Si    G
      0.6891270              1.0000000
Si    G
      0.3130780              1.0000000
Si    H
      0.5383670              1.0000000
end
basis "P_aug-cc-pVQZ-OPTRI" SPHERICAL 
#basis SET: (5s,5p,4d,3f,2g,1h) -> [5s,5p,4d,3f,2g,1h]
P    S
     10.6337500              1.0000000
P    S
      1.7092830              1.0000000
P    S
      0.7460730              1.0000000
P    S
      0.3328650              1.0000000
P    S
      0.1398460              1.0000000
P    P
     15.5771850              1.0000000
P    P
      6.9008780              1.0000000
P    P
      1.5036430              1.0000000
P    P
      0.8394800              1.0000000
P    P
      0.3147840              1.0000000
P    D
     21.0581510              1.0000000
P    D
      5.9287290              1.0000000
P    D
      1.5256750              1.0000000
P    D
      0.5426730              1.0000000
P    F
      4.1718520              1.0000000
P    F
      0.4698420              1.0000000
P    F
      0.1849510              1.0000000
P    G
      0.8909170              1.0000000
P    G
      0.3980390              1.0000000
P    H
      0.7072550              1.0000000
end
basis "S_aug-cc-pVQZ-OPTRI" SPHERICAL 
#basis SET: (5s,5p,4d,3f,2g,1h) -> [5s,5p,4d,3f,2g,1h]
S    S
     13.2187360              1.0000000
S    S
      2.0816100              1.0000000
S    S
      0.9798040              1.0000000
S    S
      0.4238750              1.0000000
S    S
      0.1906110              1.0000000
S    P
     15.7512500              1.0000000
S    P
      8.8678240              1.0000000
S    P
      1.7251480              1.0000000
S    P
      1.1282320              1.0000000
S    P
      0.3710600              1.0000000
S    D
     26.0850610              1.0000000
S    D
      6.8050460              1.0000000
S    D
      2.0436680              1.0000000
S    D
      0.6866710              1.0000000
S    F
      5.2420230              1.0000000
S    F
      0.5823140              1.0000000
S    F
      0.2233780              1.0000000
S    G
      1.0168020              1.0000000
S    G
      0.4554820              1.0000000
S    H
      0.8833010              1.0000000
end
basis "Cl_aug-cc-pVQZ-OPTRI" SPHERICAL 
#basis SET: (5s,5p,4d,3f,2g,1h) -> [5s,5p,4d,3f,2g,1h]
Cl    S
     15.2916930              1.0000000
Cl    S
      2.3712070              1.0000000
Cl    S
      1.3126100              1.0000000
Cl    S
      0.5240920              1.0000000
Cl    S
      0.2293530              1.0000000
Cl    P
     17.4700560              1.0000000
Cl    P
     11.6684790              1.0000000
Cl    P
      1.9511930              1.0000000
Cl    P
      1.3034690              1.0000000
Cl    P
      0.4496340              1.0000000
Cl    D
     28.5974510              1.0000000
Cl    D
      8.4822350              1.0000000
Cl    D
      2.8443240              1.0000000
Cl    D
      0.8638060              1.0000000
Cl    F
      6.4589300              1.0000000
Cl    F
      0.7289680              1.0000000
Cl    F
      0.3030930              1.0000000
Cl    G
      1.2292730              1.0000000
Cl    G
      0.5600770              1.0000000
Cl    H
      1.0746150              1.0000000
end
basis "Ar_aug-cc-pVQZ-OPTRI" SPHERICAL 
#basis SET: (5s,5p,4d,3f,2g,1h) -> [5s,5p,4d,3f,2g,1h]
Ar    S
     18.9796020              1.0000000
Ar    S
      4.1411890              1.0000000
Ar    S
      2.1664950              1.0000000
Ar    S
      0.6317630              1.0000000
Ar    S
      0.2565240              1.0000000
Ar    P
     23.1691270              1.0000000
Ar    P
      9.9868580              1.0000000
Ar    P
      2.6324670              1.0000000
Ar    P
      1.2767230              1.0000000
Ar    P
      0.5032810              1.0000000
Ar    D
     32.0781770              1.0000000
Ar    D
      9.4657240              1.0000000
Ar    D
      2.8134950              1.0000000
Ar    D
      1.0585130              1.0000000
Ar    F
      7.9124640              1.0000000
Ar    F
      0.8891880              1.0000000
Ar    F
      0.3994810              1.0000000
Ar    G
      1.4916260              1.0000000
Ar    G
      0.6807730              1.0000000
Ar    H
      1.3135840              1.0000000
end
