# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# ccJ-pVQZ version number 0
# Description: ccJ-pVQZ
# Role: orbital
# 
#  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
#      ccJ-pVQZ
#          benedikt2008a
# 
# 
# 
# benedikt2008a
#     Benedikt, Udo, Auer, Alexander A., Jensen, Frank
#     Optimization of augmentation functions for correlated calculations of
#             spin-spin coupling constants and related properties
#     J. Chem. Phys. 129, 064111 (2008)
#     10.1063/1.2962973
# 
# # 
basis "H_ccJ-pVQZ" SPHERICAL 
#basis SET: (8s,4p,3d,1f) -> [6s,4p,3d,1f]
H    S
  21816.9600000              0.0251443
    909.0400000              0.9748557
H    S
     82.6400000              0.1101011
     12.4100000              0.8898989
H    S
      2.8240000              1.0000000
H    S
      0.7977000              1.0000000
H    S
      0.2581000              1.0000000
H    S
      0.0898900              1.0000000
H    P
     22.9200000              1.0000000
H    P
      2.2920000              1.0000000
H    P
      0.8380000              1.0000000
H    P
      0.2920000              1.0000000
H    D
      4.1240000              1.0000000
H    D
      2.0620000              1.0000000
H    D
      0.6620000              1.0000000
H    F
      1.3970000              1.0000000
end
basis "He_ccJ-pVQZ" SPHERICAL 
#basis SET: (9s,4p,3d,1f) -> [7s,4p,3d,1f]
He    S
 139524.0000000              0.0251593
   5813.5000000              0.9748407
He    S
    528.5000000              0.1096829
     79.3100000              0.8903171
He    S
     18.0500000              1.0000000
He    S
      5.0850000              1.0000000
He    S
      1.6090000              1.0000000
He    S
      0.5363000              1.0000000
He    S
      0.1833000              1.0000000
He    P
     59.9400000              1.0000000
He    P
      5.9940000              1.0000000
He    P
      1.7450000              1.0000000
He    P
      0.5600000              1.0000000
He    D
      8.5980000              1.0000000
He    D
      4.2990000              1.0000000
He    D
      1.2230000              1.0000000
He    F
      2.6800000              1.0000000
end
basis "B_ccJ-pVQZ" SPHERICAL 
#basis SET: (14s,7p,4d,2f,1g) -> [9s,5p,4d,2f,1g]
B    S
6826820.0000000              0.0014054
 262570.0000000              0.0581351
  23870.0000000              0.9404594
B    S
   3575.0000000              0.0359141
    812.8000000              0.1868680
    229.7000000              0.7772179
B    S
     74.6900000              0.2640937
     26.8100000              0.7359063
B    S
     10.3200000              1.0000000
B    S
      4.1780000              1.0000000
B    S
      1.7270000              1.0000000
B    S
      0.4704000              1.0000000
B    S
      0.1896000              1.0000000
B    S
      0.0739400              1.0000000
B    P
    133.5600000              0.0077725
     22.2600000              0.1186263
      5.0580000              0.8736012
B    P
      1.4870000              1.0000000
B    P
      0.5071000              1.0000000
B    P
      0.1812000              1.0000000
B    P
      0.0646300              1.0000000
B    D
      4.4400000              1.0000000
B    D
      1.1100000              1.0000000
B    D
      0.4020000              1.0000000
B    D
      0.1450000              1.0000000
B    F
      0.8820000              1.0000000
B    F
      0.3110000              1.0000000
B    G
      0.6730000              1.0000000
end
basis "C_ccJ-pVQZ" SPHERICAL 
#basis SET: (14s,7p,4d,2f,1g) -> [9s,5p,4d,2f,1g]
C    S
9718280.0000000              0.0014052
 373780.0000000              0.0581096
  33980.0000000              0.9404851
C    S
   5089.0000000              0.0358315
   1157.0000000              0.1866481
    326.6000000              0.7775204
C    S
    106.1000000              0.2646514
     38.1100000              0.7353486
C    S
     14.7500000              1.0000000
C    S
      6.0350000              1.0000000
C    S
      2.5300000              1.0000000
C    S
      0.7355000              1.0000000
C    S
      0.2905000              1.0000000
C    S
      0.1111000              1.0000000
C    P
    207.0600000              0.0073580
     34.5100000              0.1209553
      7.9150000              0.8716868
C    P
      2.3680000              1.0000000
C    P
      0.8132000              1.0000000
C    P
      0.2890000              1.0000000
C    P
      0.1007000              1.0000000
C    D
      7.3920000              1.0000000
C    D
      1.8480000              1.0000000
C    D
      0.6490000              1.0000000
C    D
      0.2280000              1.0000000
C    F
      1.4190000              1.0000000
C    F
      0.4850000              1.0000000
C    G
      1.0110000              1.0000000
end
basis "N_ccJ-pVQZ" SPHERICAL 
#basis SET: (14s,7p,4d,2f,1g) -> [9s,5p,4d,2f,1g]
N    S
13110240.0000000             0.0014055
 504240.0000000              0.0581467
  45840.0000000              0.9404477
N    S
   6868.0000000              0.0360418
   1563.0000000              0.1871788
    442.4000000              0.7767795
N    S
    144.3000000              0.2657884
     52.1800000              0.7342116
N    S
     20.3400000              1.0000000
N    S
      8.3810000              1.0000000
N    S
      3.5290000              1.0000000
N    S
      1.0540000              1.0000000
N    S
      0.4118000              1.0000000
N    S
      0.1552000              1.0000000
N    P
    295.9800000              0.0070892
     49.3300000              0.1212217
     11.3700000              0.8716891
N    P
      3.4350000              1.0000000
N    P
      1.1820000              1.0000000
N    P
      0.4173000              1.0000000
N    P
      0.1428000              1.0000000
N    D
     11.3480000              1.0000000
N    D
      2.8370000              1.0000000
N    D
      0.9680000              1.0000000
N    D
      0.3350000              1.0000000
N    F
      2.0270000              1.0000000
N    F
      0.6850000              1.0000000
N    G
      1.4270000              1.0000000
end
basis "O_ccJ-pVQZ" SPHERICAL 
#basis SET: (14s,7p,4d,2f,1g) -> [9s,5p,4d,2f,1g]
O    S
17566120.0000000             0.0014054
 675620.0000000              0.0581337
  61420.0000000              0.9404609
O    S
   9199.0000000              0.0358770
   2091.0000000              0.1868227
    590.9000000              0.7773003
O    S
    192.3000000              0.2642716
     69.3200000              0.7357284
O    S
     26.9700000              1.0000000
O    S
     11.1000000              1.0000000
O    S
      4.6820000              1.0000000
O    S
      1.4280000              1.0000000
O    S
      0.5547000              1.0000000
O    S
      0.2067000              1.0000000
O    P
    380.5200000              0.0070307
     63.4200000              0.1204660
     14.6600000              0.8725033
O    P
      4.4590000              1.0000000
O    P
      1.5310000              1.0000000
O    P
      0.5302000              1.0000000
O    P
      0.1750000              1.0000000
O    D
     15.1000000              1.0000000
O    D
      3.7750000              1.0000000
O    D
      1.3000000              1.0000000
O    D
      0.4440000              1.0000000
O    F
      2.6660000              1.0000000
O    F
      0.8590000              1.0000000
O    G
      1.8460000              1.0000000
end
basis "F_ccJ-pVQZ" SPHERICAL 
#basis SET: (14s,7p,4d,2f,1g) -> [9s,5p,4d,2f,1g]
F    S
21315580.0000000             0.0014057
 819830.0000000              0.0581594
  74530.0000000              0.9404350
F    S
  11170.0000000              0.0361781
   2543.0000000              0.1877267
    721.0000000              0.7760952
F    S
    235.9000000              0.2663464
     85.6000000              0.7336536
F    S
     33.5500000              1.0000000
F    S
     13.9300000              1.0000000
F    S
      5.9150000              1.0000000
F    S
      1.8430000              1.0000000
F    S
      0.7124000              1.0000000
F    S
      0.2637000              1.0000000
F    P
    482.3400000              0.0069589
     80.3900000              0.1197278
     18.6300000              0.8733134
F    P
      5.6940000              1.0000000
F    P
      1.9530000              1.0000000
F    P
      0.6702000              1.0000000
F    P
      0.2166000              1.0000000
F    D
     20.0560000              1.0000000
F    D
      5.0140000              1.0000000
F    D
      1.7250000              1.0000000
F    D
      0.5860000              1.0000000
F    F
      3.5620000              1.0000000
F    F
      1.1480000              1.0000000
F    G
      2.3760000              1.0000000
end
basis "Ne_ccJ-pVQZ" SPHERICAL 
#basis SET: (14s,7p,4d,2f,1g) -> [9s,5p,4d,2f,1g]
Ne    S
28577120.0000000             0.0014051
1099120.0000000              0.0580995
  99920.0000000              0.9404953
Ne    S
  14960.0000000              0.0357043
   3399.0000000              0.1862929
    958.9000000              0.7780029
Ne    S
    311.2000000              0.2617079
    111.7000000              0.7382921
Ne    S
     43.3200000              1.0000000
Ne    S
     17.8000000              1.0000000
Ne    S
      7.5030000              1.0000000
Ne    S
      2.3370000              1.0000000
Ne    S
      0.9001000              1.0000000
Ne    S
      0.3301000              1.0000000
Ne    P
    598.0800000              0.0069008
     99.6800000              0.1191495
     23.1500000              0.8739498
Ne    P
      7.1080000              1.0000000
Ne    P
      2.4410000              1.0000000
Ne    P
      0.8339000              1.0000000
Ne    P
      0.2662000              1.0000000
Ne    D
     25.8840000              1.0000000
Ne    D
      6.4710000              1.0000000
Ne    D
      2.2130000              1.0000000
Ne    D
      0.7470000              1.0000000
Ne    F
      4.6570000              1.0000000
Ne    F
      1.5240000              1.0000000
Ne    G
      2.9830000              1.0000000
end
