# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# aug-cc-pVTZ-OPTRI version number 0
# Description: aug-cc-pVTZ-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-pVTZ-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-pVTZ-OPTRI" SPHERICAL 
#basis SET: (3s,3p,2d,1f) -> [3s,3p,2d,1f]
H    S
      1.7470550              1.0000000
H    S
      0.4888250              1.0000000
H    S
      0.2076740              1.0000000
H    P
      4.8370960              1.0000000
H    P
      2.1141910              1.0000000
H    P
      0.7026260              1.0000000
H    D
      1.7849140              1.0000000
H    D
      0.6175130              1.0000000
H    F
      1.9187250              1.0000000
end
basis "He_aug-cc-pVTZ-OPTRI" SPHERICAL 
#basis SET: (3s,3p,2d,1f) -> [3s,3p,2d,1f]
He    S
      4.7766510              1.0000000
He    S
      1.0273960              1.0000000
He    S
      0.3124060              1.0000000
He    P
      7.7011780              1.0000000
He    P
      2.0313920              1.0000000
He    P
      0.1190650              1.0000000
He    D
      4.5412270              1.0000000
He    D
      1.0478080              1.0000000
He    F
      2.4275120              1.0000000
end
basis "B_aug-cc-pVTZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g) -> [4s,5p,4d,3f,2g]
B    S
      2.2671480              1.0000000
B    S
      0.8800790              1.0000000
B    S
      0.2447880              1.0000000
B    S
      0.0461640              1.0000000
B    P
      2.4841420              1.0000000
B    P
      0.7528550              1.0000000
B    P
      0.4190740              1.0000000
B    P
      0.1156080              1.0000000
B    P
      0.0401160              1.0000000
B    D
      4.8473750              1.0000000
B    D
      1.3974980              1.0000000
B    D
      0.3936640              1.0000000
B    D
      0.0908640              1.0000000
B    F
      1.8840320              1.0000000
B    F
      0.8787800              1.0000000
B    F
      0.2700710              1.0000000
B    G
      1.0223720              1.0000000
B    G
      0.3753310              1.0000000
end
basis "C_aug-cc-pVTZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g) -> [4s,5p,4d,3f,2g]
C    S
      3.9642050              1.0000000
C    S
      1.3508990              1.0000000
C    S
      0.3471600              1.0000000
C    S
      0.0712960              1.0000000
C    P
      3.3634370              1.0000000
C    P
      1.0793800              1.0000000
C    P
      0.5719810              1.0000000
C    P
      0.1805510              1.0000000
C    P
      0.0536290              1.0000000
C    D
      4.9484350              1.0000000
C    D
      2.0420780              1.0000000
C    D
      0.4992050              1.0000000
C    D
      0.1497380              1.0000000
C    F
      3.4897200              1.0000000
C    F
      1.3604080              1.0000000
C    F
      0.5069690              1.0000000
C    G
      1.6030840              1.0000000
C    G
      0.5832310              1.0000000
end
basis "N_aug-cc-pVTZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g) -> [4s,5p,4d,3f,2g]
N    S
      5.8477420              1.0000000
N    S
      2.0001550              1.0000000
N    S
      0.4941380              1.0000000
N    S
      0.0863850              1.0000000
N    P
      4.4463680              1.0000000
N    P
      1.4548940              1.0000000
N    P
      0.8850870              1.0000000
N    P
      0.2580350              1.0000000
N    P
      0.0734520              1.0000000
N    D
      7.9836110              1.0000000
N    D
      3.4268080              1.0000000
N    D
      0.7908440              1.0000000
N    D
      0.2395990              1.0000000
N    F
      5.4040350              1.0000000
N    F
      2.0241770              1.0000000
N    F
      0.7290710              1.0000000
N    G
      2.5286770              1.0000000
N    G
      0.9505390              1.0000000
end
basis "O_aug-cc-pVTZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g) -> [4s,5p,4d,3f,2g]
O    S
     11.3525810              1.0000000
O    S
      3.3758930              1.0000000
O    S
      0.4533020              1.0000000
O    S
      0.1104370              1.0000000
O    P
      5.4560910              1.0000000
O    P
      2.3525840              1.0000000
O    P
      1.0679520              1.0000000
O    P
      0.3301450              1.0000000
O    P
      0.0893680              1.0000000
O    D
     12.0698490              1.0000000
O    D
      4.2787000              1.0000000
O    D
      1.3747810              1.0000000
O    D
      0.3193270              1.0000000
O    F
      6.9152510              1.0000000
O    F
      3.2424930              1.0000000
O    F
      0.7499350              1.0000000
O    G
      3.1413190              1.0000000
O    G
      1.0754710              1.0000000
end
basis "F_aug-cc-pVTZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g) -> [4s,5p,4d,3f,2g]
F    S
     16.2490860              1.0000000
F    S
      3.3814200              1.0000000
F    S
      1.0996880              1.0000000
F    S
      0.1373010              1.0000000
F    P
      7.6657940              1.0000000
F    P
      3.0196150              1.0000000
F    P
      1.3629930              1.0000000
F    P
      0.4042330              1.0000000
F    P
      0.1517170              1.0000000
F    D
     16.2177680              1.0000000
F    D
      5.6999140              1.0000000
F    D
      2.0227140              1.0000000
F    D
      0.4381950              1.0000000
F    F
      9.8128910              1.0000000
F    F
      4.8118310              1.0000000
F    F
      1.0807210              1.0000000
F    G
      4.0534990              1.0000000
F    G
      1.3579070              1.0000000
end
basis "Ne_aug-cc-pVTZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g) -> [4s,5p,4d,3f,2g]
Ne    S
     21.7638680              1.0000000
Ne    S
      4.4564600              1.0000000
Ne    S
      1.4799290              1.0000000
Ne    S
      0.2236740              1.0000000
Ne    P
      8.8150200              1.0000000
Ne    P
      3.5110110              1.0000000
Ne    P
      1.7043880              1.0000000
Ne    P
      0.5458350              1.0000000
Ne    P
      0.2194280              1.0000000
Ne    D
     36.0260060              1.0000000
Ne    D
     11.0592340              1.0000000
Ne    D
      1.7659490              1.0000000
Ne    D
      0.6389530              1.0000000
Ne    F
     13.0362870              1.0000000
Ne    F
      7.6031790              1.0000000
Ne    F
      1.6025530              1.0000000
Ne    G
      5.1878530              1.0000000
Ne    G
      1.7994760              1.0000000
end
basis "Al_aug-cc-pVTZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g) -> [4s,5p,4d,3f,2g]
Al    S
      3.9522820              1.0000000
Al    S
      0.4992660              1.0000000
Al    S
      0.1136130              1.0000000
Al    S
      0.0342020              1.0000000
Al    P
      4.3226840              1.0000000
Al    P
      1.9794900              1.0000000
Al    P
      1.3229000              1.0000000
Al    P
      0.4387020              1.0000000
Al    P
      0.0305890              1.0000000
Al    D
      9.2862280              1.0000000
Al    D
      2.3523380              1.0000000
Al    D
      0.4988180              1.0000000
Al    D
      0.1663920              1.0000000
Al    F
      1.3241760              1.0000000
Al    F
      0.4109700              1.0000000
Al    F
      0.1506400              1.0000000
Al    G
      0.4818550              1.0000000
Al    G
      0.2259170              1.0000000
end
basis "Si_aug-cc-pVTZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g) -> [4s,5p,4d,3f,2g]
Si    S
      6.5782740              1.0000000
Si    S
      0.7017370              1.0000000
Si    S
      0.1677000              1.0000000
Si    S
      0.0511820              1.0000000
Si    P
      7.2071580              1.0000000
Si    P
      2.1878490              1.0000000
Si    P
      1.3682450              1.0000000
Si    P
      0.3834360              1.0000000
Si    P
      0.0399350              1.0000000
Si    D
     10.0654090              1.0000000
Si    D
      4.1416080              1.0000000
Si    D
      0.9188210              1.0000000
Si    D
      0.2559090              1.0000000
Si    F
      2.9190560              1.0000000
Si    F
      0.5155120              1.0000000
Si    F
      0.2244170              1.0000000
Si    G
      0.6519090              1.0000000
Si    G
      0.3176700              1.0000000
end
basis "P_aug-cc-pVTZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g) -> [4s,5p,4d,3f,2g]
P    S
      8.2324400              1.0000000
P    S
      1.4034300              1.0000000
P    S
      0.3101870              1.0000000
P    S
      0.0660430              1.0000000
P    P
      9.6778770              1.0000000
P    P
      2.5253700              1.0000000
P    P
      1.2013060              1.0000000
P    P
      0.3966700              1.0000000
P    P
      0.0459970              1.0000000
P    D
     13.6486590              1.0000000
P    D
      4.6678810              1.0000000
P    D
      2.0793380              1.0000000
P    D
      0.3266950              1.0000000
P    F
      4.2525360              1.0000000
P    F
      0.6887660              1.0000000
P    F
      0.3019800              1.0000000
P    G
      0.8484670              1.0000000
P    G
      0.4037330              1.0000000
end
basis "S_aug-cc-pVTZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g) -> [4s,5p,4d,3f,2g]
S    S
      7.1544480              1.0000000
S    S
      1.7056790              1.0000000
S    S
      0.3879650              1.0000000
S    S
      0.0799490              1.0000000
S    P
     12.3430660              1.0000000
S    P
      3.4969470              1.0000000
S    P
      1.6303970              1.0000000
S    P
      0.5394130              1.0000000
S    P
      0.0564700              1.0000000
S    D
     19.2901410              1.0000000
S    D
      7.3717540              1.0000000
S    D
      1.8762860              1.0000000
S    D
      0.4365220              1.0000000
S    F
      5.4398970              1.0000000
S    F
      0.8572980              1.0000000
S    F
      0.3723600              1.0000000
S    G
      1.0512970              1.0000000
S    G
      0.4871740              1.0000000
end
basis "Cl_aug-cc-pVTZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g) -> [4s,5p,4d,3f,2g]
Cl    S
      7.6159120              1.0000000
Cl    S
      1.7009310              1.0000000
Cl    S
      0.4736950              1.0000000
Cl    S
      0.1084980              1.0000000
Cl    P
     13.8389550              1.0000000
Cl    P
      4.1705200              1.0000000
Cl    P
      1.9624920              1.0000000
Cl    P
      0.5556280              1.0000000
Cl    P
      0.0847390              1.0000000
Cl    D
     24.8750520              1.0000000
Cl    D
     10.0803690              1.0000000
Cl    D
      2.0236740              1.0000000
Cl    D
      0.5084740              1.0000000
Cl    F
      6.8531320              1.0000000
Cl    F
      1.0625280              1.0000000
Cl    F
      0.4718520              1.0000000
Cl    G
      1.2891180              1.0000000
Cl    G
      0.5923200              1.0000000
end
basis "Ar_aug-cc-pVTZ-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g) -> [4s,5p,4d,3f,2g]
Ar    S
      8.6144650              1.0000000
Ar    S
      1.8927430              1.0000000
Ar    S
      0.5698370              1.0000000
Ar    S
      0.1306560              1.0000000
Ar    P
     16.8243680              1.0000000
Ar    P
      6.3006820              1.0000000
Ar    P
      2.8069490              1.0000000
Ar    P
      0.5350510              1.0000000
Ar    P
      0.0825950              1.0000000
Ar    D
     31.2553800              1.0000000
Ar    D
     12.4499870              1.0000000
Ar    D
      2.3563880              1.0000000
Ar    D
      0.6428840              1.0000000
Ar    F
      8.1895310              1.0000000
Ar    F
      1.3323360              1.0000000
Ar    F
      0.6026280              1.0000000
Ar    G
      1.5693630              1.0000000
Ar    G
      0.7470470              1.0000000
end
