# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# aug-cc-pV5Z-OPTRI version number 0
# Description: aug-cc-pV5Z-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-pV5Z-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-pV5Z-OPTRI" SPHERICAL 
#basis SET: (4s,4p,3d,3f,2g,1h) -> [4s,4p,3d,3f,2g,1h]
H    S
      7.2570890              1.0000000
H    S
      2.2429910              1.0000000
H    S
      0.8543460              1.0000000
H    S
      0.3066780              1.0000000
H    P
     22.6327350              1.0000000
H    P
      6.7946560              1.0000000
H    P
      2.6241450              1.0000000
H    P
      0.9777040              1.0000000
H    D
      4.5808320              1.0000000
H    D
      1.8686230              1.0000000
H    D
      0.7406740              1.0000000
H    F
      3.7588180              1.0000000
H    F
      1.3133220              1.0000000
H    F
      0.5827880              1.0000000
H    G
      3.5254090              1.0000000
H    G
      1.2606730              1.0000000
H    H
      2.5109650              1.0000000
end
basis "He_aug-cc-pV5Z-OPTRI" SPHERICAL 
#basis SET: (4s,4p,3d,3f,2g,1h) -> [4s,4p,3d,3f,2g,1h]
He    S
     18.0833410              1.0000000
He    S
      5.3720140              1.0000000
He    S
      1.8907970              1.0000000
He    S
      0.6801770              1.0000000
He    P
     36.6389970              1.0000000
He    P
      5.5954620              1.0000000
He    P
      2.3530560              1.0000000
He    P
      0.7234600              1.0000000
He    D
     20.3357010              1.0000000
He    D
      4.9120200              1.0000000
He    D
      1.5951580              1.0000000
He    F
     10.1331940              1.0000000
He    F
      3.3175600              1.0000000
He    F
      1.0280910              1.0000000
He    G
      5.7828200              1.0000000
He    G
      1.8953390              1.0000000
He    H
      3.9184220              1.0000000
end
basis "B_aug-cc-pV5Z-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,3g,2h,1i) -> [4s,5p,4d,3f,3g,2h,1i]
B    S
      3.0318070              1.0000000
B    S
      0.7839850              1.0000000
B    S
      0.2727630              1.0000000
B    S
      0.1048720              1.0000000
B    P
      2.8848580              1.0000000
B    P
      1.2906320              1.0000000
B    P
      0.4378920              1.0000000
B    P
      0.1845040              1.0000000
B    P
      0.0746350              1.0000000
B    D
      4.8098390              1.0000000
B    D
      3.1027280              1.0000000
B    D
      1.2342890              1.0000000
B    D
      0.4740350              1.0000000
B    F
      3.4418140              1.0000000
B    F
      0.8086950              1.0000000
B    F
      0.3500420              1.0000000
B    G
      2.1779590              1.0000000
B    G
      0.6924940              1.0000000
B    G
      0.1035150              1.0000000
B    H
      1.3262350              1.0000000
B    H
      0.2562270              1.0000000
B    I
      0.8507250              1.0000000
end
basis "C_aug-cc-pV5Z-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,3g,2h,1i) -> [4s,5p,4d,3f,3g,2h,1i]
C    S
      4.5004950              1.0000000
C    S
      1.1035870              1.0000000
C    S
      0.3849330              1.0000000
C    S
      0.1526580              1.0000000
C    P
      4.1606640              1.0000000
C    P
      1.6261630              1.0000000
C    P
      0.6783280              1.0000000
C    P
      0.2997450              1.0000000
C    P
      0.1219200              1.0000000
C    D
     10.1380890              1.0000000
C    D
      5.2445430              1.0000000
C    D
      1.9905050              1.0000000
C    D
      0.7542460              1.0000000
C    F
      4.9040340              1.0000000
C    F
      1.2558070              1.0000000
C    F
      0.5408400              1.0000000
C    G
      3.5249200              1.0000000
C    G
      1.0127920              1.0000000
C    G
      0.1147860              1.0000000
C    H
      2.3396300              1.0000000
C    H
      0.3913170              1.0000000
C    I
      1.2459670              1.0000000
end
basis "N_aug-cc-pV5Z-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,3g,2h,1i) -> [4s,5p,4d,3f,3g,2h,1i]
N    S
      6.3232820              1.0000000
N    S
      1.3939630              1.0000000
N    S
      0.5309000              1.0000000
N    S
      0.2091620              1.0000000
N    P
      6.6139280              1.0000000
N    P
      2.6439980              1.0000000
N    P
      1.0040260              1.0000000
N    P
      0.4368750              1.0000000
N    P
      0.1596390              1.0000000
N    D
     13.5171600              1.0000000
N    D
      6.9593990              1.0000000
N    D
      3.0913940              1.0000000
N    D
      1.1198200              1.0000000
N    F
      7.0600140              1.0000000
N    F
      1.8023900              1.0000000
N    F
      0.7384730              1.0000000
N    G
      5.0194910              1.0000000
N    G
      1.4041190              1.0000000
N    G
      0.1348280              1.0000000
N    H
      3.4552510              1.0000000
N    H
      0.5275680              1.0000000
N    I
      1.9414710              1.0000000
end
basis "O_aug-cc-pV5Z-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,3g,2h,1i) -> [4s,5p,4d,3f,3g,2h,1i]
O    S
      8.4797640              1.0000000
O    S
      1.7082740              1.0000000
O    S
      0.7589520              1.0000000
O    S
      0.2746680              1.0000000
O    P
      8.9536530              1.0000000
O    P
      3.1404980              1.0000000
O    P
      1.3164560              1.0000000
O    P
      0.5216180              1.0000000
O    P
      0.1928450              1.0000000
O    D
     23.2590920              1.0000000
O    D
      9.3218050              1.0000000
O    D
      3.4565030              1.0000000
O    D
      1.3590800              1.0000000
O    F
      9.9072490              1.0000000
O    F
      2.4423480              1.0000000
O    F
      0.9200130              1.0000000
O    G
      6.4279160              1.0000000
O    G
      1.9843210              1.0000000
O    G
      0.3397690              1.0000000
O    H
      4.4290120              1.0000000
O    H
      0.6857020              1.0000000
O    I
      2.2264960              1.0000000
end
basis "F_aug-cc-pV5Z-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g,2h,1i) -> [4s,5p,4d,3f,2g,2h,1i]
F    S
     11.1095380              1.0000000
F    S
      2.2582580              1.0000000
F    S
      0.9315950              1.0000000
F    S
      0.3472760              1.0000000
F    P
     11.2078130              1.0000000
F    P
      3.9259070              1.0000000
F    P
      1.5972830              1.0000000
F    P
      0.6251590              1.0000000
F    P
      0.2353900              1.0000000
F    D
     28.6994770              1.0000000
F    D
     11.6311160              1.0000000
F    D
      4.5338420              1.0000000
F    D
      1.7800390              1.0000000
F    F
     13.2981720              1.0000000
F    F
      3.2006020              1.0000000
F    F
      1.2901730              1.0000000
F    G
      8.9009240              1.0000000
F    G
      2.6330260              1.0000000
F    H
      5.6018430              1.0000000
F    H
      0.8857780              1.0000000
F    I
      3.0264800              1.0000000
end
basis "Ne_aug-cc-pV5Z-OPTRI" SPHERICAL 
#basis SET: (4s,5p,4d,3f,2g,2h,1i) -> [4s,5p,4d,3f,2g,2h,1i]
Ne    S
     13.9417590              1.0000000
Ne    S
      2.8826580              1.0000000
Ne    S
      1.0893040              1.0000000
Ne    S
      0.4433600              1.0000000
Ne    P
     15.6295050              1.0000000
Ne    P
      5.7291820              1.0000000
Ne    P
      1.9726330              1.0000000
Ne    P
      0.7844730              1.0000000
Ne    P
      0.2883390              1.0000000
Ne    D
     37.6999630              1.0000000
Ne    D
     14.7911660              1.0000000
Ne    D
      6.0629160              1.0000000
Ne    D
      2.5503310              1.0000000
Ne    F
     16.9497430              1.0000000
Ne    F
      4.2427750              1.0000000
Ne    F
      1.6992310              1.0000000
Ne    G
     10.9829530              1.0000000
Ne    G
      3.3873260              1.0000000
Ne    H
      7.5035280              1.0000000
Ne    H
      1.0900190              1.0000000
Ne    I
      4.0123390              1.0000000
end
basis "Al_aug-cc-pV5Z-OPTRI" SPHERICAL 
#basis SET: (5s,5p,5d,3f,3g,2h,1i) -> [5s,5p,5d,3f,3g,2h,1i]
Al    S
      9.4362200              1.0000000
Al    S
      2.3681520              1.0000000
Al    S
      0.3896590              1.0000000
Al    S
      0.1635570              1.0000000
Al    S
      0.0700030              1.0000000
Al    P
     11.6277380              1.0000000
Al    P
      6.3256140              1.0000000
Al    P
      1.7458820              1.0000000
Al    P
      0.3869810              1.0000000
Al    P
      0.1471000              1.0000000
Al    D
     12.5665190              1.0000000
Al    D
      5.0905760              1.0000000
Al    D
      1.1837280              1.0000000
Al    D
      0.2614730              1.0000000
Al    D
      0.1089840              1.0000000
Al    F
      2.2671450              1.0000000
Al    F
      1.3195770              1.0000000
Al    F
      0.7680510              1.0000000
Al    G
      0.8576060              1.0000000
Al    G
      0.3699550              1.0000000
Al    G
      0.1626320              1.0000000
Al    H
      0.6689100              1.0000000
Al    H
      0.3187460              1.0000000
Al    I
      0.4357790              1.0000000
end
basis "Si_aug-cc-pV5Z-OPTRI" SPHERICAL 
#basis SET: (5s,5p,5d,3f,3g,2h,1i) -> [5s,5p,5d,3f,3g,2h,1i]
Si    S
     12.9457190              1.0000000
Si    S
      3.0492650              1.0000000
Si    S
      0.5386730              1.0000000
Si    S
      0.2262540              1.0000000
Si    S
      0.0984460              1.0000000
Si    P
     15.9140710              1.0000000
Si    P
      7.3746000              1.0000000
Si    P
      2.2679840              1.0000000
Si    P
      0.5565950              1.0000000
Si    P
      0.2110480              1.0000000
Si    D
     15.0734000              1.0000000
Si    D
      5.9872560              1.0000000
Si    D
      2.0924590              1.0000000
Si    D
      0.3705980              1.0000000
Si    D
      0.1658580              1.0000000
Si    F
      4.3924800              1.0000000
Si    F
      2.1244920              1.0000000
Si    F
      1.0275440              1.0000000
Si    G
      1.0555330              1.0000000
Si    G
      0.4743400              1.0000000
Si    G
      0.2198980              1.0000000
Si    H
      0.8817400              1.0000000
Si    H
      0.4325000              1.0000000
Si    I
      0.5998810              1.0000000
end
basis "P_aug-cc-pV5Z-OPTRI" SPHERICAL 
#basis SET: (5s,5p,5d,3f,3g,2h,1i) -> [5s,5p,5d,3f,3g,2h,1i]
P    S
     16.3192770              1.0000000
P    S
      5.3946840              1.0000000
P    S
      0.6594720              1.0000000
P    S
      0.2923680              1.0000000
P    S
      0.1254890              1.0000000
P    P
     25.8625660              1.0000000
P    P
      9.2351430              1.0000000
P    P
      3.0459430              1.0000000
P    P
      0.6484250              1.0000000
P    P
      0.2771730              1.0000000
P    D
     21.9561800              1.0000000
P    D
      8.6185410              1.0000000
P    D
      2.6004990              1.0000000
P    D
      0.5066070              1.0000000
P    D
      0.2176570              1.0000000
P    F
      7.3238040              1.0000000
P    F
      3.1700260              1.0000000
P    F
      1.3721100              1.0000000
P    G
      1.3484990              1.0000000
P    G
      0.6091370              1.0000000
P    G
      0.2753470              1.0000000
P    H
      1.1153070              1.0000000
P    H
      0.5262950              1.0000000
P    I
      0.7728960              1.0000000
end
basis "S_aug-cc-pV5Z-OPTRI" SPHERICAL 
#basis SET: (5s,5p,5d,3f,3g,2h,1i) -> [5s,5p,5d,3f,3g,2h,1i]
S    S
     18.1292330              1.0000000
S    S
      6.6416170              1.0000000
S    S
      0.8232590              1.0000000
S    S
      0.3603470              1.0000000
S    S
      0.1551610              1.0000000
S    P
     32.8117280              1.0000000
S    P
     14.8961980              1.0000000
S    P
      2.8560510              1.0000000
S    P
      0.7257710              1.0000000
S    P
      0.3148170              1.0000000
S    D
     34.2036090              1.0000000
S    D
      9.7567650              1.0000000
S    D
      2.4085870              1.0000000
S    D
      0.6234600              1.0000000
S    D
      0.2923820              1.0000000
S    F
     10.2992580              1.0000000
S    F
      4.0926810              1.0000000
S    F
      1.6263340              1.0000000
S    G
      1.6055120              1.0000000
S    G
      0.6930870              1.0000000
S    G
      0.3190990              1.0000000
S    H
      1.3963580              1.0000000
S    H
      0.6410040              1.0000000
S    I
      0.9676010              1.0000000
end
basis "Cl_aug-cc-pV5Z-OPTRI" SPHERICAL 
#basis SET: (5s,5p,5d,3f,3g,2h,1i) -> [5s,5p,5d,3f,3g,2h,1i]
Cl    S
     29.2370080              1.0000000
Cl    S
      7.5868510              1.0000000
Cl    S
      1.0745440              1.0000000
Cl    S
      0.4385850              1.0000000
Cl    S
      0.1749340              1.0000000
Cl    P
     40.3958920              1.0000000
Cl    P
     12.9571910              1.0000000
Cl    P
      2.2227770              1.0000000
Cl    P
      0.8033450              1.0000000
Cl    P
      0.3801240              1.0000000
Cl    D
     42.4007700              1.0000000
Cl    D
     19.4461940              1.0000000
Cl    D
      4.1020580              1.0000000
Cl    D
      0.7840030              1.0000000
Cl    D
      0.3090150              1.0000000
Cl    F
     13.0193100              1.0000000
Cl    F
      5.0908200              1.0000000
Cl    F
      1.9906160              1.0000000
Cl    G
      1.9396610              1.0000000
Cl    G
      0.8300020              1.0000000
Cl    G
      0.3919080              1.0000000
Cl    H
      1.8063050              1.0000000
Cl    H
      0.7952380              1.0000000
Cl    I
      1.1796890              1.0000000
end
basis "Ar_aug-cc-pV5Z-OPTRI" SPHERICAL 
#basis SET: (5s,5p,5d,3f,3g,2h,1i) -> [5s,5p,5d,3f,3g,2h,1i]
Ar    S
     35.8877110              1.0000000
Ar    S
      8.4475340              1.0000000
Ar    S
      1.1729520              1.0000000
Ar    S
      0.5214940              1.0000000
Ar    S
      0.2231650              1.0000000
Ar    P
     41.2976830              1.0000000
Ar    P
     14.3713550              1.0000000
Ar    P
      2.7155460              1.0000000
Ar    P
      0.9801500              1.0000000
Ar    P
      0.4117880              1.0000000
Ar    D
     42.2079550              1.0000000
Ar    D
     21.0321060              1.0000000
Ar    D
      6.2390570              1.0000000
Ar    D
      0.9453540              1.0000000
Ar    D
      0.4045700              1.0000000
Ar    F
     15.5071910              1.0000000
Ar    F
      6.1821240              1.0000000
Ar    F
      2.4645770              1.0000000
Ar    G
      2.3213630              1.0000000
Ar    G
      0.9903830              1.0000000
Ar    G
      0.4702360              1.0000000
Ar    H
      2.2196220              1.0000000
Ar    H
      0.9663970              1.0000000
Ar    I
      1.4711420              1.0000000
end
