# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# cc-pCVDZ-F12-OPTRI version number 0
# Description: cc-pCVDZ-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-pCVDZ-F12-OPTRI
#          hill2010b
# 
#  B-Ne,Al-Ar
#      cc-pCVDZ-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-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,7p,5d,3f,1g) -> [6s,7p,5d,3f,1g]
Li    S
     15.1750978              1.0000000
Li    S
      2.2762936              1.0000000
Li    S
      0.3612203              1.0000000
Li    S
      0.2125887              1.0000000
Li    S
      0.0574747              1.0000000
Li    S
      0.0210272              1.0000000
Li    P
     18.8328222              1.0000000
Li    P
      3.1693797              1.0000000
Li    P
      1.6256702              1.0000000
Li    P
      0.3202245              1.0000000
Li    P
      0.1075101              1.0000000
Li    P
      0.0379347              1.0000000
Li    P
      0.0140919              1.0000000
Li    D
      1.4295654              1.0000000
Li    D
      0.5642437              1.0000000
Li    D
      0.2119040              1.0000000
Li    D
      0.0917688              1.0000000
Li    D
      0.0349915              1.0000000
Li    F
      0.5538977              1.0000000
Li    F
      0.2955732              1.0000000
Li    F
      0.0851734              1.0000000
Li    G
      0.2690192              1.0000000
end
basis "Be_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,7p,5d,3f,1g) -> [6s,7p,5d,3f,1g]
Be    S
     12.7268379              1.0000000
Be    S
      3.0040040              1.0000000
Be    S
      0.7451808              1.0000000
Be    S
      0.4595400              1.0000000
Be    S
      0.1143600              1.0000000
Be    S
      0.0291500              1.0000000
Be    P
     33.4872401              1.0000000
Be    P
      7.4218052              1.0000000
Be    P
      4.6379019              1.0000000
Be    P
      0.8656886              1.0000000
Be    P
      0.2901600              1.0000000
Be    P
      0.0941200              1.0000000
Be    P
      0.0323000              1.0000000
Be    D
      1.9902734              1.0000000
Be    D
      0.8795200              1.0000000
Be    D
      0.4741100              1.0000000
Be    D
      0.1989800              1.0000000
Be    D
      0.0890974              1.0000000
Be    F
      1.1952457              1.0000000
Be    F
      0.3501042              1.0000000
Be    F
      0.0889893              1.0000000
Be    G
      0.5609638              1.0000000
end
basis "B_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,7p,5d,3f,1g) -> [6s,7p,5d,3f,1g]
B    S
     29.5893220              1.0000000
B    S
      7.4419320              1.0000000
B    S
      4.9696800              1.0000000
B    S
      1.4183190              1.0000000
B    S
      0.2322750              1.0000000
B    S
      0.0513020              1.0000000
B    P
     42.8697030              1.0000000
B    P
     12.4160860              1.0000000
B    P
      5.8355910              1.0000000
B    P
      1.6952310              1.0000000
B    P
      0.4453150              1.0000000
B    P
      0.1375550              1.0000000
B    P
      0.0395590              1.0000000
B    D
      4.2082400              1.0000000
B    D
      2.4102970              1.0000000
B    D
      1.2621790              1.0000000
B    D
      0.4481530              1.0000000
B    D
      0.1545640              1.0000000
B    F
      1.8285000              1.0000000
B    F
      0.7431010              1.0000000
B    F
      0.3022620              1.0000000
B    G
      0.6940200              1.0000000
end
basis "C_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,7p,5d,3f,1g) -> [6s,7p,5d,3f,1g]
C    S
    120.9583790              1.0000000
C    S
     33.1092990              1.0000000
C    S
     11.4191610              1.0000000
C    S
      2.1604430              1.0000000
C    S
      0.4870730              1.0000000
C    S
      0.0743250              1.0000000
C    P
     82.6803670              1.0000000
C    P
     54.8031610              1.0000000
C    P
     10.4726780              1.0000000
C    P
      1.7981360              1.0000000
C    P
      0.5742880              1.0000000
C    P
      0.2558890              1.0000000
C    P
      0.0809460              1.0000000
C    D
      9.6817400              1.0000000
C    D
      4.7315090              1.0000000
C    D
      1.7535170              1.0000000
C    D
      0.6666000              1.0000000
C    D
      0.1554830              1.0000000
C    F
      3.0823400              1.0000000
C    F
      1.0780910              1.0000000
C    F
      0.4004620              1.0000000
C    G
      1.0423780              1.0000000
end
basis "N_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,7p,5d,3f,1g) -> [6s,7p,5d,3f,1g]
N    S
    122.9618160              1.0000000
N    S
     38.3580750              1.0000000
N    S
     11.0702400              1.0000000
N    S
      1.9352750              1.0000000
N    S
      0.5917690              1.0000000
N    S
      0.1194030              1.0000000
N    P
     98.3174440              1.0000000
N    P
     65.3615580              1.0000000
N    P
     14.0640060              1.0000000
N    P
      2.9764800              1.0000000
N    P
      0.8312940              1.0000000
N    P
      0.2581230              1.0000000
N    P
      0.1059480              1.0000000
N    D
     11.3910340              1.0000000
N    D
      7.5816680              1.0000000
N    D
      2.6919460              1.0000000
N    D
      0.8931830              1.0000000
N    D
      0.2423120              1.0000000
N    F
      3.9596360              1.0000000
N    F
      1.3253520              1.0000000
N    F
      0.4693150              1.0000000
N    G
      1.4040600              1.0000000
end
basis "O_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,7p,5d,3f,1g) -> [6s,7p,5d,3f,1g]
O    S
    166.2672330              1.0000000
O    S
     51.7203220              1.0000000
O    S
     13.5663680              1.0000000
O    S
      2.6464580              1.0000000
O    S
      1.0249230              1.0000000
O    S
      0.1261390              1.0000000
O    P
    140.7989090              1.0000000
O    P
     75.4894030              1.0000000
O    P
     16.4357240              1.0000000
O    P
      4.4514840              1.0000000
O    P
      1.0705700              1.0000000
O    P
      0.3279170              1.0000000
O    P
      0.1054650              1.0000000
O    D
     15.4850960              1.0000000
O    D
     10.3389760              1.0000000
O    D
      3.4868050              1.0000000
O    D
      0.8377060              1.0000000
O    D
      0.2354000              1.0000000
O    F
      5.3860760              1.0000000
O    F
      1.7902360              1.0000000
O    F
      0.6282820              1.0000000
O    G
      1.8374740              1.0000000
end
basis "F_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,7p,5d,3f,1g) -> [6s,7p,5d,3f,1g]
F    S
    228.1262130              1.0000000
F    S
     83.9015280              1.0000000
F    S
     29.7641150              1.0000000
F    S
      4.8313210              1.0000000
F    S
      0.8797100              1.0000000
F    S
      0.1364430              1.0000000
F    P
    154.3712730              1.0000000
F    P
     44.4784900              1.0000000
F    P
     18.2483050              1.0000000
F    P
      5.3492720              1.0000000
F    P
      1.3548020              1.0000000
F    P
      0.5023380              1.0000000
F    P
      0.1094860              1.0000000
F    D
     23.3847680              1.0000000
F    D
      8.8138190              1.0000000
F    D
      3.8697160              1.0000000
F    D
      0.8671250              1.0000000
F    D
      0.3827710              1.0000000
F    F
      6.7988970              1.0000000
F    F
      2.2255270              1.0000000
F    F
      0.7644030              1.0000000
F    G
      2.3745340              1.0000000
end
basis "Ne_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (6s,7p,5d,3f,1g) -> [6s,7p,5d,3f,1g]
Ne    S
    125.5484000              1.0000000
Ne    S
     32.9829600              1.0000000
Ne    S
     21.9518900              1.0000000
Ne    S
      9.0164000              1.0000000
Ne    S
      1.1546580              1.0000000
Ne    S
      0.2463810              1.0000000
Ne    P
    198.4992200              1.0000000
Ne    P
     55.3660800              1.0000000
Ne    P
     21.6384900              1.0000000
Ne    P
      5.5112300              1.0000000
Ne    P
      1.7108040              1.0000000
Ne    P
      0.7085190              1.0000000
Ne    P
      0.1779220              1.0000000
Ne    D
     26.5929900              1.0000000
Ne    D
     11.0931630              1.0000000
Ne    D
      4.3792440              1.0000000
Ne    D
      1.5595310              1.0000000
Ne    D
      0.4773390              1.0000000
Ne    F
      8.4302390              1.0000000
Ne    F
      2.7517740              1.0000000
Ne    F
      0.9299590              1.0000000
Ne    G
      2.8677250              1.0000000
end
basis "Na_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (8s,7p,6d,6f,2g) -> [8s,7p,6d,6f,2g]
Na    S
     34.3021055              1.0000000
Na    S
     12.8233681              1.0000000
Na    S
      4.9758821              1.0000000
Na    S
      1.0402431              1.0000000
Na    S
      0.7645393              1.0000000
Na    S
      0.3486070              1.0000000
Na    S
      0.0926760              1.0000000
Na    S
      0.0118550              1.0000000
Na    P
     15.2067029              1.0000000
Na    P
     11.5875851              1.0000000
Na    P
      8.4149852              1.0000000
Na    P
      1.5172675              1.0000000
Na    P
      0.3044761              1.0000000
Na    P
      0.0686190              1.0000000
Na    P
      0.0115070              1.0000000
Na    D
     35.9794786              1.0000000
Na    D
     10.8017190              1.0000000
Na    D
      2.1244415              1.0000000
Na    D
      0.6377709              1.0000000
Na    D
      0.3203731              1.0000000
Na    D
      0.0849870              1.0000000
Na    F
     35.7400187              1.0000000
Na    F
      7.5124843              1.0000000
Na    F
      3.0387153              1.0000000
Na    F
      1.1820235              1.0000000
Na    F
      0.2653676              1.0000000
Na    F
      0.0461348              1.0000000
Na    G
      6.3094163              1.0000000
Na    G
      2.3826961              1.0000000
end
basis "Mg_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (8s,7p,6d,6f,2g) -> [8s,7p,6d,6f,2g]
Mg    S
     54.8688755              1.0000000
Mg    S
     17.0923674              1.0000000
Mg    S
      6.4069244              1.0000000
Mg    S
      1.3445719              1.0000000
Mg    S
      0.5750498              1.0000000
Mg    S
      0.2288600              1.0000000
Mg    S
      0.0586040              1.0000000
Mg    S
      0.0254650              1.0000000
Mg    P
     38.2016164              1.0000000
Mg    P
     13.6521157              1.0000000
Mg    P
      7.0525565              1.0000000
Mg    P
      1.4290679              1.0000000
Mg    P
      0.3771026              1.0000000
Mg    P
      0.1288007              1.0000000
Mg    P
      0.0476970              1.0000000
Mg    D
     44.4380884              1.0000000
Mg    D
     15.1683821              1.0000000
Mg    D
      3.0612651              1.0000000
Mg    D
      0.5313646              1.0000000
Mg    D
      0.4003327              1.0000000
Mg    D
      0.1335350              1.0000000
Mg    F
     17.1405712              1.0000000
Mg    F
      6.9180223              1.0000000
Mg    F
      2.5288928              1.0000000
Mg    F
      0.8994690              1.0000000
Mg    F
      0.5929790              1.0000000
Mg    F
      0.2338778              1.0000000
Mg    G
      4.5238079              1.0000000
Mg    G
      0.2660970              1.0000000
end
basis "Al_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (8s,7p,6d,6f,2g) -> [8s,7p,6d,6f,2g]
Al    S
     61.4710530              1.0000000
Al    S
     40.8416010              1.0000000
Al    S
     27.0057510              1.0000000
Al    S
     17.7814720              1.0000000
Al    S
      0.9864850              1.0000000
Al    S
      0.6582230              1.0000000
Al    S
      0.1750170              1.0000000
Al    S
      0.0368290              1.0000000
Al    P
     88.8878030              1.0000000
Al    P
     10.5703810              1.0000000
Al    P
      7.0534020              1.0000000
Al    P
      4.7182570              1.0000000
Al    P
      0.5136730              1.0000000
Al    P
      0.2287210              1.0000000
Al    P
      0.0294870              1.0000000
Al    D
     59.9050410              1.0000000
Al    D
     21.3422870              1.0000000
Al    D
      4.0439130              1.0000000
Al    D
      1.2843940              1.0000000
Al    D
      0.6139490              1.0000000
Al    D
      0.2042110              1.0000000
Al    F
     23.4617730              1.0000000
Al    F
      8.5189870              1.0000000
Al    F
      3.3777450              1.0000000
Al    F
      1.2548000              1.0000000
Al    F
      0.4376860              1.0000000
Al    F
      0.1814200              1.0000000
Al    G
      5.0110740              1.0000000
Al    G
      0.3255080              1.0000000
end
basis "Si_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (8s,7p,6d,6f,2g) -> [8s,7p,6d,6f,2g]
Si    S
     82.9683260              1.0000000
Si    S
     55.1722470              1.0000000
Si    S
     36.6985510              1.0000000
Si    S
     16.4458740              1.0000000
Si    S
      0.9901310              1.0000000
Si    S
      0.6600330              1.0000000
Si    S
      0.1609560              1.0000000
Si    S
      0.0500420              1.0000000
Si    P
    144.6229580              1.0000000
Si    P
     11.8624670              1.0000000
Si    P
      7.4491400              1.0000000
Si    P
      4.9731300              1.0000000
Si    P
      0.6641080              1.0000000
Si    P
      0.1427110              1.0000000
Si    P
      0.0407240              1.0000000
Si    D
     55.4526210              1.0000000
Si    D
     21.6524040              1.0000000
Si    D
      5.7031760              1.0000000
Si    D
      1.8530380              1.0000000
Si    D
      0.8290920              1.0000000
Si    D
      0.3693730              1.0000000
Si    F
     29.4270520              1.0000000
Si    F
     10.7832480              1.0000000
Si    F
      4.3284910              1.0000000
Si    F
      1.6573030              1.0000000
Si    F
      0.5671640              1.0000000
Si    F
      0.2418750              1.0000000
Si    G
      5.5356490              1.0000000
Si    G
      0.4564510              1.0000000
end
basis "P_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (8s,7p,6d,6f,2g) -> [8s,7p,6d,6f,2g]
P    S
    261.1455350              1.0000000
P    S
     54.4274300              1.0000000
P    S
     27.7341880              1.0000000
P    S
     12.2774950              1.0000000
P    S
      1.6444240              1.0000000
P    S
      1.0982720              1.0000000
P    S
      0.2569160              1.0000000
P    S
      0.0621100              1.0000000
P    P
    133.1994210              1.0000000
P    P
     47.1295430              1.0000000
P    P
     19.4846500              1.0000000
P    P
     12.9882140              1.0000000
P    P
      0.9553130              1.0000000
P    P
      0.3012610              1.0000000
P    P
      0.0635680              1.0000000
P    D
    111.4674490              1.0000000
P    D
     31.3595520              1.0000000
P    D
      7.6099020              1.0000000
P    D
      1.8130860              1.0000000
P    D
      1.0423060              1.0000000
P    D
      0.4400530              1.0000000
P    F
     32.7916260              1.0000000
P    F
     11.7960490              1.0000000
P    F
      4.7139300              1.0000000
P    F
      1.8948230              1.0000000
P    F
      0.6983490              1.0000000
P    F
      0.2881710              1.0000000
P    G
      6.9542270              1.0000000
P    G
      0.5961850              1.0000000
end
basis "S_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (8s,7p,6d,6f,2g) -> [8s,7p,6d,6f,2g]
S    S
    323.0502650              1.0000000
S    S
     95.8890180              1.0000000
S    S
     34.5245840              1.0000000
S    S
     20.8752300              1.0000000
S    S
      5.8620840              1.0000000
S    S
      1.5487110              1.0000000
S    S
      0.3694970              1.0000000
S    S
      0.0767690              1.0000000
S    P
    291.6995820              1.0000000
S    P
     63.4893920              1.0000000
S    P
      9.7535990              1.0000000
S    P
      6.5032350              1.0000000
S    P
      1.0602390              1.0000000
S    P
      0.2969830              1.0000000
S    P
      0.0732060              1.0000000
S    D
     71.7304930              1.0000000
S    D
     25.7689540              1.0000000
S    D
      9.1868800              1.0000000
S    D
      2.9855830              1.0000000
S    D
      1.1823580              1.0000000
S    D
      0.4978020              1.0000000
S    F
     40.4618930              1.0000000
S    F
     15.0458710              1.0000000
S    F
      6.1938470              1.0000000
S    F
      2.4757160              1.0000000
S    F
      0.8983480              1.0000000
S    F
      0.3612870              1.0000000
S    G
      7.7737060              1.0000000
S    G
      0.7478690              1.0000000
end
basis "Cl_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (8s,7p,6d,6f,2g) -> [8s,7p,6d,6f,2g]
Cl    S
     70.9645540              1.0000000
Cl    S
     46.6640780              1.0000000
Cl    S
     31.1124730              1.0000000
Cl    S
     20.6977690              1.0000000
Cl    S
      4.0754780              1.0000000
Cl    S
      2.0100350              1.0000000
Cl    S
      0.4406760              1.0000000
Cl    S
      0.1054030              1.0000000
Cl    P
    147.0845740              1.0000000
Cl    P
     39.3778650              1.0000000
Cl    P
     20.8041040              1.0000000
Cl    P
     10.8675540              1.0000000
Cl    P
      1.2221090              1.0000000
Cl    P
      0.3597420              1.0000000
Cl    P
      0.0731310              1.0000000
Cl    D
    132.3684630              1.0000000
Cl    D
     54.1007160              1.0000000
Cl    D
     11.4814970              1.0000000
Cl    D
      4.1470800              1.0000000
Cl    D
      1.9577600              1.0000000
Cl    D
      0.5612310              1.0000000
Cl    F
     41.1057680              1.0000000
Cl    F
     15.0086140              1.0000000
Cl    F
      6.0203070              1.0000000
Cl    F
      2.4214530              1.0000000
Cl    F
      1.0693640              1.0000000
Cl    F
      0.4213250              1.0000000
Cl    G
      8.3275890              1.0000000
Cl    G
      0.9124370              1.0000000
end
basis "Ar_cc-pCVDZ-F12-OPTRI" SPHERICAL 
#basis SET: (8s,7p,6d,6f,2g) -> [8s,7p,6d,6f,2g]
Ar    S
    156.7285090              1.0000000
Ar    S
     43.4075200              1.0000000
Ar    S
     28.8734850              1.0000000
Ar    S
     19.2015040              1.0000000
Ar    S
      2.9640820              1.0000000
Ar    S
      1.9880680              1.0000000
Ar    S
      0.4934280              1.0000000
Ar    S
      0.1119110              1.0000000
Ar    P
    313.8265580              1.0000000
Ar    P
     83.8657490              1.0000000
Ar    P
     25.7808290              1.0000000
Ar    P
     12.0455880              1.0000000
Ar    P
      2.0789710              1.0000000
Ar    P
      0.4765140              1.0000000
Ar    P
      0.0951490              1.0000000
Ar    D
    130.8583670              1.0000000
Ar    D
     49.2101790              1.0000000
Ar    D
     16.4063540              1.0000000
Ar    D
      5.2550190              1.0000000
Ar    D
      2.8477760              1.0000000
Ar    D
      0.6438550              1.0000000
Ar    F
     43.0395830              1.0000000
Ar    F
     15.4997030              1.0000000
Ar    F
      5.9946320              1.0000000
Ar    F
      2.2071950              1.0000000
Ar    F
      1.2607890              1.0000000
Ar    F
      0.4917180              1.0000000
Ar    G
     11.4181990              1.0000000
Ar    G
      1.0839200              1.0000000
end
