# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# d-aug-cc-pV6Z version number 0
# Description: V6Z5P   Valence Sextuple Zeta + Polarization + Diffuse
# 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
#      cc-pV6Z
#          peterson1994a
# 
#      1D Diffuse Functions
#          peterson1994a
# 
#      2D      Diffuse Functions
#          woon1994a
# 
#  B-O
#      cc-pV6Z
#          wilson1996a
# 
#      1D Diffuse Functions
#          mourik1999a
# 
#      2D      Diffuse Functions
#          woon1994a
# 
# 
# 
# mourik1999a
#     van Mourik, Tanja, Wilson, Angela K., Dunning, Jr, Thom H.
#     Benchmark calculations with correlated molecular wavefunctions. XIII.
#             Potential energy curves for He2, Ne2 and Ar2 using correlation
#             consistent basis sets through augmented sextuple zeta
#     Mol. Phys. 96, 529-547 (1999)
#     10.1080/00268979909482990
# 
# peterson1994a
#     Peterson, Kirk A., Woon, David E., Dunning, Jr, Thom H.
#     Benchmark calculations with correlated molecular wave functions. IV.
#             The classical barrier height of the H+H2→H2+H reaction
#     J. Chem. Phys. 100, 7410-7415 (1994)
#     10.1063/1.466884
# 
# wilson1996a
#     Wilson, Angela K., van Mourik, Tanja, Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. VI.
#             Sextuple zeta correlation consistent basis sets for boron
#             through neon
#     J. Mol. Struc-THEOCHEM 388, 339-349 (1996)
#     10.1016/s0166-1280(96)80048-0
# 
# woon1994a
#     Woon, David E., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. IV.
#             Calculation of static electrical response properties
#     J. Chem. Phys. 100, 2975-2988 (1994)
#     10.1063/1.466439
# 
# # 
basis "H_d-aug-cc-pV6Z" SPHERICAL 
#basis SET: (12s,7p,6d,5f,4g,3h) -> [8s,7p,6d,5f,4g,3h]
H    S
   1776.7755600              0.0000440
    254.0177120              0.0003720
     54.6980390              0.0020940
     15.0183440              0.0088630
      4.91507800             0.0305400
H    S
      1.79492400             1.0000000
H    S
      0.71071600             1.0000000
H    S
      0.30480200             1.0000000
H    S
      0.13804600             1.0000000
H    S
      0.06215700             1.0000000
H    S
      0.0189                 1.0000
H    S
      0.00575                1.0000
H    P
      8.6490000              1.0000000
H    P
      3.4300000              1.0000000
H    P
      1.3600000              1.0000000
H    P
      0.5390000              1.0000000
H    P
      0.2140000              1.0000000
H    P
      0.0670                 1.0000
H    P
      0.0210                 1.0000
H    D
      4.4530000              1.0000000
H    D
      1.9580000              1.0000000
H    D
      0.8610000              1.0000000
H    D
      0.3780000              1.0000000
H    D
      0.1260                 1.0000
H    D
      0.0420                 1.0000
H    F
      4.1000000              1.0000000
H    F
      1.7800000              1.0000000
H    F
      0.7730000              1.0000000
H    F
      0.2450                 1.0000
H    F
      0.0777                 1.0000
H    G
      3.1990000              1.0000000
H    G
      1.3260000              1.0000000
H    G
      0.4070                 1.0000
H    G
      0.1250                 1.0000
H    H
      2.6530000              1.0000000
H    H
      0.6820                 1.0000
H    H
      0.1750                 1.0000
end
basis "B_d-aug-cc-pV6Z" SPHERICAL 
#basis SET: (29s,12p,7d,6f,5g,4h,2i) -> [9s,8p,7d,6f,5g,4h,2i]
B    S
 210400.0000000              0.00000583
  31500.0000000              0.00004532
   7169.0000000              0.00023838
   2030.0000000              0.00100570
    662.5000000              0.00364496
    239.2000000              0.01173628
     93.2600000              0.03380702
     38.6400000              0.08556593
     16.7800000              0.18260322
      7.5410000              0.30583760
      3.4820000              0.34080347
B    S
 210400.0000000             -0.00000118
  31500.0000000             -0.00000915
   7169.0000000             -0.00004819
   2030.0000000             -0.00020306
    662.5000000             -0.00073917
    239.2000000             -0.00238603
     93.2600000             -0.00698654
     38.6400000             -0.01811594
     16.7800000             -0.04123129
      7.5410000             -0.07781353
      3.4820000             -0.12123181
B    S
      1.6180000              1.0000000
B    S
      0.6270000              1.0000000
B    S
      0.2934000              1.0000000
B    S
      0.1310000              1.0000000
B    S
      0.0581500              1.0000000
B    S
      0.02300                1.0000
B    S
      0.00910                1.0000
B    P
    192.5000000              0.00013490
     45.6400000              0.00114741
     14.7500000              0.00584793
      5.5030000              0.02117091
      2.2220000              0.06266872
B    P
      0.9590000              1.0000000
B    P
      0.4314000              1.0000000
B    P
      0.1969000              1.0000000
B    P
      0.0903300              1.0000000
B    P
      0.0406600              1.0000000
B    P
      0.01365                1.0000
B    P
      0.00458                1.0000
B    D
      2.8860000              1.0000000
B    D
      1.2670000              1.0000000
B    D
      0.5560000              1.0000000
B    D
      0.2440000              1.0000000
B    D
      0.1070000              1.0000000
B    D
      0.03920                1.0000
B    D
      0.01440                1.0000
B    F
      1.6510000              1.0000000
B    F
      0.8002000              1.0000000
B    F
      0.3878000              1.0000000
B    F
      0.1880000              1.0000000
B    F
      0.0733                 1.0000
B    F
      0.0286                 1.0000
B    G
      1.6469000              1.0000000
B    G
      0.7889000              1.0000000
B    G
      0.3779000              1.0000000
B    G
      0.1620                 1.0000
B    G
      0.0694                 1.0000
B    H
      1.3120000              1.0000000
B    H
      0.5806000              1.0000000
B    H
      0.2880                 1.0000
B    H
      0.1430                 1.0000
B    I
      0.9847000              1.0000000
B    I
      0.5000                 1.0000
end
basis "C_d-aug-cc-pV6Z" SPHERICAL 
#basis SET: (29s,12p,7d,6f,5g,4h,2i) -> [9s,8p,7d,6f,5g,4h,2i]
C    S
 312100.0000000              0.00000567
  46740.0000000              0.00004410
  10640.0000000              0.00023190
   3013.0000000              0.00097897
    982.8000000              0.00355163
    354.8000000              0.01144061
    138.4000000              0.03299855
     57.3500000              0.08405347
     24.9200000              0.18067613
     11.2300000              0.30491140
      5.2010000              0.34141570
C    S
 312100.0000000             -0.00000121
  46740.0000000             -0.00000939
  10640.0000000             -0.00004947
   3013.0000000             -0.00020857
    982.8000000             -0.00076015
    354.8000000             -0.00245469
    138.4000000             -0.00720153
     57.3500000             -0.01880742
     24.9200000             -0.04325001
     11.2300000             -0.08259733
      5.2010000             -0.12857592
C    S
      2.4260000              1.0000000
C    S
      0.9673000              1.0000000
C    S
      0.4456000              1.0000000
C    S
      0.1971000              1.0000000
C    S
      0.0863500              1.0000000
C    S
      0.03540                1.0000
C    S
      0.0145                 1.0000
C    P
    295.2000000              0.00014249
     69.9800000              0.00122010
     22.6400000              0.00633696
      8.4850000              0.02351875
      3.4590000              0.06990447
C    P
      1.5040000              1.0000000
C    P
      0.6783000              1.0000000
C    P
      0.3087000              1.0000000
C    P
      0.1400000              1.0000000
C    P
      0.0617800              1.0000000
C    P
      0.02376                1.0000
C    P
      0.0091                 1.0000
C    D
      4.5420000              1.0000000
C    D
      1.9790000              1.0000000
C    D
      0.8621000              1.0000000
C    D
      0.3756000              1.0000000
C    D
      0.1636000              1.0000000
C    D
      0.06360                1.0000
C    D
      0.0247                 1.0000
C    F
      2.6310000              1.0000000
C    F
      1.2550000              1.0000000
C    F
      0.5988000              1.0000000
C    F
      0.2857000              1.0000000
C    F
      0.1180                 1.0000
C    F
      0.0487                 1.0000
C    G
      2.6520000              1.0000000
C    G
      1.2040000              1.0000000
C    G
      0.5470000              1.0000000
C    G
      0.2540                 1.0000
C    G
      0.1180                 1.0000
C    H
      2.0300000              1.0000000
C    H
      0.8511000              1.0000000
C    H
      0.4510                 1.0000
C    H
      0.2390                 1.0000
C    I
      1.4910000              1.0000000
C    I
      0.7760                 1.0000
end
basis "N_d-aug-cc-pV6Z" SPHERICAL 
#basis SET: (29s,12p,7d,6f,5g,4h,2i) -> [9s,8p,7d,6f,5g,4h,2i]
N    S
 432300.0000000              0.00000559
  64700.0000000              0.00004351
  14720.0000000              0.00022893
   4170.0000000              0.00096502
   1361.0000000              0.00350219
    491.2000000              0.01129212
    191.6000000              0.03261283
     79.4100000              0.08329727
     34.5300000              0.17998566
     15.5800000              0.30500351
      7.2320000              0.34115932
N    S
 432300.0000000             -0.00000123
  64700.0000000             -0.00000958
  14720.0000000             -0.00005051
   4170.0000000             -0.00021264
   1361.0000000             -0.00077534
    491.2000000             -0.00250624
    191.6000000             -0.00736529
     79.4100000             -0.01930167
     34.5300000             -0.04471738
     15.5800000             -0.08606647
      7.2320000             -0.13329627
N    S
      3.3820000              1.0000000
N    S
      1.3690000              1.0000000
N    S
      0.6248000              1.0000000
N    S
      0.2747000              1.0000000
N    S
      0.1192000              1.0000000
N    S
      0.04714                1.0000
N    S
      0.0186                 1.0000
N    P
    415.9000000              0.00014841
     98.6100000              0.00127634
     31.9200000              0.00670242
     12.0000000              0.02526170
      4.9190000              0.07518943
N    P
      2.1480000              1.0000000
N    P
      0.9696000              1.0000000
N    P
      0.4399000              1.0000000
N    P
      0.1978000              1.0000000
N    P
      0.0860300              1.0000000
N    P
      0.03150                1.0000
N    P
      0.0115                 1.0000
N    D
      6.7170000              1.0000000
N    D
      2.8960000              1.0000000
N    D
      1.2490000              1.0000000
N    D
      0.5380000              1.0000000
N    D
      0.2320000              1.0000000
N    D
      0.0874                 1.0000
N    D
      0.0329                 1.0000
N    F
      3.8290000              1.0000000
N    F
      1.7950000              1.0000000
N    F
      0.8410000              1.0000000
N    F
      0.3940000              1.0000000
N    F
      0.1510                 1.0000
N    F
      0.0579                 1.0000
N    G
      3.8560000              1.0000000
N    G
      1.7020000              1.0000000
N    G
      0.7510000              1.0000000
N    G
      0.3260                 1.0000
N    G
      0.1420                 1.0000
N    H
      2.8750000              1.0000000
N    H
      1.1700000              1.0000000
N    H
      0.5870                 1.0000
N    H
      0.2950                 1.0000
N    I
      2.0990000              1.0000000
N    I
      1.0410                 1.0000
end
basis "O_d-aug-cc-pV6Z" SPHERICAL 
#basis SET: (29s,12p,7d,6f,5g,4h,2i) -> [9s,8p,7d,6f,5g,4h,2i]
O    S
 570800.0000000              0.00000555
  85480.0000000              0.00004311
  19460.0000000              0.00022667
   5512.0000000              0.00095637
   1798.0000000              0.00347320
    648.9000000              0.01119778
    253.1000000              0.03238766
    104.9000000              0.08285977
     45.6500000              0.17958381
     20.6200000              0.30522110
      9.5870000              0.34089349
O    S
 570800.0000000             -0.00000126
  85480.0000000             -0.00000977
  19460.0000000             -0.00005148
   5512.0000000             -0.00021696
   1798.0000000             -0.00079162
    648.9000000             -0.00255900
    253.1000000             -0.00753313
    104.9000000             -0.01978897
     45.6500000             -0.04606288
     20.6200000             -0.08919560
      9.5870000             -0.13754216
O    S
      4.4930000              1.0000000
O    S
      1.8370000              1.0000000
O    S
      0.8349000              1.0000000
O    S
      0.3658000              1.0000000
O    S
      0.1570000              1.0000000
O    S
      0.05935                1.0000
O    S
      0.0224                 1.0000
O    P
    525.6000000              0.00016664
    124.6000000              0.00143336
     40.3400000              0.00754762
     15.1800000              0.02859456
      6.2450000              0.08438858
O    P
      2.7320000              1.0000000
O    P
      1.2270000              1.0000000
O    P
      0.5492000              1.0000000
O    P
      0.2418000              1.0000000
O    P
      0.1025000              1.0000000
O    P
      0.03380                1.0000
O    P
      0.0111                 1.0000
O    D
      8.2530000              1.0000000
O    D
      3.5970000              1.0000000
O    D
      1.5680000              1.0000000
O    D
      0.6840000              1.0000000
O    D
      0.2980000              1.0000000
O    D
      0.1150                 1.0000
O    D
      0.0444                 1.0000
O    F
      5.4300000              1.0000000
O    F
      2.4160000              1.0000000
O    F
      1.0750000              1.0000000
O    F
      0.4780000              1.0000000
O    F
      0.1950                 1.0000
O    F
      0.0796                 1.0000
O    G
      5.2110000              1.0000000
O    G
      2.1900000              1.0000000
O    G
      0.9200000              1.0000000
O    G
      0.4060                 1.0000
O    G
      0.1790                 1.0000
O    H
      3.8720000              1.0000000
O    H
      1.5050000              1.0000000
O    H
      0.7480                 1.0000
O    H
      0.3720                 1.0000
O    I
      2.7730000              1.0000000
O    I
      1.3450                 1.0000
end
