# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# aug-cc-pV7Z version number 0
# Description: aug-cc-pV7Z
# 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
# 
#  B-Ne
#      aug-cc-pV7Z
#          (...no reference...)
# 
# 
# 
# # 
basis "B_aug-cc-pV7Z" SPHERICAL 
#basis SET: (31s,13p,7d,6f,5g,4h,3i,2k) -> [9s,8p,7d,6f,5g,4h,3i,2k]
B    S
 639096.48000000             0.000001450000
  95681.51400000             0.000011300000
  21773.08300000             0.000059490000
   6167.29350000             0.000251280000
   2012.08270000             0.000915980000
    726.46850000             0.002983470000
    283.44690000             0.008868880000
    117.53123000             0.024146540000
     51.30763000             0.059312810000
     23.34431800             0.128122550000
     10.96337500             0.231005970000
      5.29336700             0.317350670000
B    S
 639096.48000000            -0.000000290000
  95681.51400000            -0.000002280000
  21773.08300000            -0.000012020000
   6167.29350000            -0.000050710000
   2012.08270000            -0.000185340000
    726.46850000            -0.000603290000
    283.44690000            -0.001806360000
    117.53123000            -0.004949810000
     51.30763000            -0.012468970000
     23.34431800            -0.027937610000
     10.96337500            -0.055099580000
      5.29336700            -0.089952160000
B    S
      2.62057200             1.000000000000
B    S
      1.30393200             1.000000000000
B    S
      0.55166600             1.000000000000
B    S
      0.25708500             1.000000000000
B    S
      0.11862700             1.000000000000
B    S
      0.05444500             1.000000000000
B    S
      0.02498800             1.000000000000
B    P
    503.76954000             0.000025350000
    119.03181000             0.000224580000
     38.64227200             0.001253390000
     14.75279300             0.005098200000
      6.19078900             0.016051880000
      2.75602700             0.043033150000
B    P
      1.28677300             1.000000000000
B    P
      0.62256700             1.000000000000
B    P
      0.30453800             1.000000000000
B    P
      0.14898700             1.000000000000
B    P
      0.07287700             1.000000000000
B    P
      0.03492200             1.000000000000
B    P
      0.01673400             1.000000000000
B    D
      3.60597800             1.000000000000
B    D
      1.71900300             1.000000000000
B    D
      0.81946500             1.000000000000
B    D
      0.39064600             1.000000000000
B    D
      0.18622500             1.000000000000
B    D
      0.08877500             1.000000000000
B    D
      0.04232000             1.000000000000
B    F
      2.18086800             1.000000000000
B    F
      1.14964200             1.000000000000
B    F
      0.60603300             1.000000000000
B    F
      0.31947000             1.000000000000
B    F
      0.16840800             1.000000000000
B    F
      0.08877600             1.000000000000
B    G
      2.33466500             1.000000000000
B    G
      1.19782800             1.000000000000
B    G
      0.61456000             1.000000000000
B    G
      0.31530700             1.000000000000
B    G
      0.16177200             1.000000000000
B    H
      1.88024500             1.000000000000
B    H
      0.92980800             1.000000000000
B    H
      0.45980300             1.000000000000
B    H
      0.22737900             1.000000000000
B    I
      1.56820300             1.000000000000
B    I
      0.69701100             1.000000000000
B    I
      0.30979700             1.000000000000
B    K
      1.29200000             1.000000000000
B    K
      0.57420000             1.000000000000
end
basis "C_aug-cc-pV7Z" SPHERICAL 
#basis SET: (31s,13p,7d,6f,5g,4h,3i,2k) -> [9s,8p,7d,6f,5g,4h,3i,2k]
C    S
 949028.80000000             0.000001400000
 142083.00000000             0.000011000000
  32332.47000000             0.000057800000
   9158.11700000             0.000244400000
   2987.90900000             0.000891000000
   1078.78800000             0.002904000000
    420.83080000             0.008631000000
    174.60030000             0.023529000000
     76.18292000             0.058161000000
     34.63588000             0.126624000000
     16.27076000             0.230465000000
      7.85547900             0.319297000000
C    S
 949028.80000000            -0.000000300000
 142083.00000000            -0.000002300000
  32332.47000000            -0.000012300000
   9158.11700000            -0.000052000000
   2987.90900000            -0.000190000000
   1078.78800000            -0.000620000000
    420.83080000            -0.001855000000
    174.60030000            -0.005092000000
     76.18292000            -0.012916000000
     34.63588000            -0.029230000000
     16.27076000            -0.058414000000
      7.85547900            -0.096655000000
C    S
      3.88217200             1.000000000000
C    S
      1.92833400             1.000000000000
C    S
      0.83580600             1.000000000000
C    S
      0.38629100             1.000000000000
C    S
      0.17686000             1.000000000000
C    S
      0.08025200             1.000000000000
C    S
      0.03210080             1.000000000000
C    P
    765.45530000             0.000027200000
    180.86280000             0.000241000000
     58.71441000             0.001357000000
     22.41625000             0.005620000000
      9.40621400             0.018267000000
      4.18719800             0.050019000000
C    P
      1.95587600             1.000000000000
C    P
      0.94533600             1.000000000000
C    P
      0.46276300             1.000000000000
C    P
      0.22679600             1.000000000000
C    P
      0.11059200             1.000000000000
C    P
      0.05240000             1.000000000000
C    P
      0.01940700             1.000000000000
C    D
      5.80319000             1.000000000000
C    D
      2.75811000             1.000000000000
C    D
      1.31086000             1.000000000000
C    D
      0.62302000             1.000000000000
C    D
      0.29610000             1.000000000000
C    D
      0.14073000             1.000000000000
C    D
      0.05840000             1.000000000000
C    F
      3.31553000             1.000000000000
C    F
      1.74776000             1.000000000000
C    F
      0.92133000             1.000000000000
C    F
      0.48567000             1.000000000000
C    F
      0.25602000             1.000000000000
C    F
      0.11020000             1.000000000000
C    G
      3.62722000             1.000000000000
C    G
      1.83501000             1.000000000000
C    G
      0.92833000             1.000000000000
C    G
      0.46964000             1.000000000000
C    G
      0.21720000             1.000000000000
C    H
      2.75639000             1.000000000000
C    H
      1.36308000             1.000000000000
C    H
      0.67407000             1.000000000000
C    H
      0.34760000             1.000000000000
C    I
      2.37436000             1.000000000000
C    I
      1.05532000             1.000000000000
C    I
      0.58500000             1.000000000000
C    K
      1.95600000             1.000000000000
C    K
      0.97800000             1.000000000000
end
basis "N_aug-cc-pV7Z" SPHERICAL 
#basis SET: (31s,13p,7d,6f,5g,4h,3i,2k) -> [9s,8p,7d,6f,5g,4h,3i,2k]
N    S
1296296.00000000             0.000001400000
 194068.60000000             0.000011000000
  44160.57000000             0.000058000000
  12507.72000000             0.000245000000
   4080.47600000             0.000893000000
   1473.14000000             0.002913000000
    574.60660000             0.008664000000
    238.37000000             0.023635000000
    103.99360000             0.058518000000
     47.27944000             0.127728700000
     22.21871000             0.232873700000
     10.73569000             0.321117000000
N    S
1296296.00000000            -0.000000310000
 194068.60000000            -0.000002430000
  44160.57000000            -0.000012790000
  12507.72000000            -0.000053990000
   4080.47600000            -0.000197300000
   1473.14000000            -0.000643200000
    574.60660000            -0.001926400000
    238.37000000            -0.005294800000
    103.99360000            -0.013458800000
     47.27944000            -0.030612900000
     22.21871000            -0.061511300000
     10.73569000            -0.102005500000
N    S
      5.30885600             1.000000000000
N    S
      2.63917700             1.000000000000
N    S
      1.16576400             1.000000000000
N    S
      0.53709100             1.000000000000
N    S
      0.24490400             1.000000000000
N    S
      0.11027100             1.000000000000
N    S
      0.01901220             1.000000000000
N    P
   1094.96000000             0.000027600000
    258.66110000             0.000245000000
     83.85255000             0.001392000000
     31.96225000             0.005859000000
     13.41121000             0.019413000000
      5.98547100             0.053599800000
N    P
      2.80363000             1.000000000000
N    P
      1.35573600             1.000000000000
N    P
      0.66239600             1.000000000000
N    P
      0.32291200             1.000000000000
N    P
      0.15592100             1.000000000000
N    P
      0.07282000             1.000000000000
N    P
      0.02697040             1.000000000000
N    D
      8.59142980             1.000000000000
N    D
      4.03353510             1.000000000000
N    D
      1.89367850             1.000000000000
N    D
      0.88905090             1.000000000000
N    D
      0.41739480             1.000000000000
N    D
      0.19596000             1.000000000000
N    D
      0.07536920             1.000000000000
N    F
      5.73890020             1.000000000000
N    F
      2.77241560             1.000000000000
N    F
      1.33933120             1.000000000000
N    F
      0.64701990             1.000000000000
N    F
      0.31257000             1.000000000000
N    F
      0.12021920             1.000000000000
N    G
      5.53680240             1.000000000000
N    G
      2.58729080             1.000000000000
N    G
      1.20901440             1.000000000000
N    G
      0.56496000             1.000000000000
N    G
      0.24563480             1.000000000000
N    H
      4.21812880             1.000000000000
N    H
      2.08714940             1.000000000000
N    H
      1.03273000             1.000000000000
N    H
      0.51636500             1.000000000000
N    I
      3.45000000             1.000000000000
N    I
      1.58000000             1.000000000000
N    I
      0.79000000             1.000000000000
N    K
      2.37900000             1.000000000000
N    K
      0.97700000             1.000000000000
end
basis "O_aug-cc-pV7Z" SPHERICAL 
#basis SET: (31s,13p,7d,6f,5g,4h,3i,2k) -> [9s,8p,7d,6f,5g,4h,3i,2k]
O    S
1678789.00000000             0.000001400000
 251388.20000000             0.000011200000
  57213.73000000             0.000058900000
  16207.44000000             0.000249000000
   5288.27600000             0.000907000000
   1909.47800000             0.002957000000
    744.92310000             0.008791000000
    309.07550000             0.023980000000
    134.86450000             0.059381000000
     61.33129000             0.129650000000
     28.83796000             0.236064000000
     13.94504000             0.322921000000
O    S
1678789.00000000            -0.000000300000
 251388.20000000            -0.000002500000
  57213.73000000            -0.000013400000
  16207.44000000            -0.000056000000
   5288.27600000            -0.000206000000
   1909.47800000            -0.000672000000
    744.92310000            -0.002013000000
    309.07550000            -0.005535000000
    134.86450000            -0.014079000000
     61.33129000            -0.032113000000
     28.83796000            -0.064676000000
     13.94504000            -0.107154000000
O    S
      6.89907700             1.000000000000
O    S
      3.43157700             1.000000000000
O    S
      1.53984000             1.000000000000
O    S
      0.70975100             1.000000000000
O    S
      0.32304700             1.000000000000
O    S
      0.14422200             1.000000000000
O    S
      0.05547000             1.000000000000
O    P
   1349.05900000             0.000032300000
    319.45690000             0.000286000000
    103.78040000             0.001616000000
     39.62821000             0.006785000000
     16.66137000             0.022499000000
      7.46416600             0.061674000000
O    P
      3.50932500             1.000000000000
O    P
      1.69568000             1.000000000000
O    P
      0.82274200             1.000000000000
O    P
      0.39573300             1.000000000000
O    P
      0.18764400             1.000000000000
O    P
      0.08584100             1.000000000000
O    P
      0.02861370             1.000000000000
O    D
     10.06429300             1.000000000000
O    D
      4.84325940             1.000000000000
O    D
      2.33073120             1.000000000000
O    D
      1.12162230             1.000000000000
O    D
      0.53976050             1.000000000000
O    D
      0.25975000             1.000000000000
O    D
      0.10390000             1.000000000000
O    F
      6.91170870             1.000000000000
O    F
      3.41994490             1.000000000000
O    F
      1.69220430             1.000000000000
O    F
      0.83731040             1.000000000000
O    F
      0.41430500             1.000000000000
O    F
      0.17262700             1.000000000000
O    G
      7.23799490             1.000000000000
O    G
      3.41575980             1.000000000000
O    G
      1.61196780             1.000000000000
O    G
      0.76072100             1.000000000000
O    G
      0.34578200             1.000000000000
O    H
      5.73310920             1.000000000000
O    H
      2.58248160             1.000000000000
O    H
      1.16328000             1.000000000000
O    H
      0.58164000             1.000000000000
O    I
      4.81300000             1.000000000000
O    I
      2.07800000             1.000000000000
O    I
      1.03900000             1.000000000000
O    K
      3.12300000             1.000000000000
O    K
      1.23200000             1.000000000000
end
basis "F_aug-cc-pV7Z" SPHERICAL 
#basis SET: (31s,13p,7d,6f,5g,4h,3i,2k) -> [9s,8p,7d,6f,5g,4h,3i,2k]
F    S
2115112.00000000             0.000001500000
 316699.70000000             0.000011300000
  72075.71000000             0.000059500000
  20416.83000000             0.000251400000
   6661.45800000             0.000916000000
   2405.18800000             0.002986000000
    938.25950000             0.008881900000
    389.27100000             0.024232100000
    169.84990000             0.060030100000
     77.24367000             0.131135500000
     36.32874000             0.238563200000
     17.57387000             0.324307500000
F    S
2115112.00000000            -0.000000340000
 316699.70000000            -0.000002620000
  72075.71000000            -0.000013780000
  20416.83000000            -0.000058170000
   6661.45800000            -0.000212420000
   2405.18800000            -0.000692810000
    938.25950000            -0.002074600000
    389.27100000            -0.005709740000
    169.84990000            -0.014535600000
     77.24367000            -0.033235000000
     36.32874000            -0.067066200000
     17.57387000            -0.110984000000
F    S
      8.69353000             1.000000000000
F    S
      4.32176900             1.000000000000
F    S
      1.95952000             1.000000000000
F    S
      0.90318500             1.000000000000
F    S
      0.41040500             1.000000000000
F    S
      0.18202400             1.000000000000
F    S
      0.07000900             1.000000000000
F    P
   1687.71800000             0.000034600000
    399.65170000             0.000305800000
    129.82670000             0.001731300000
     49.57826000             0.007297500000
     20.86193000             0.024312600000
      9.36556400             0.066434100000
F    P
      4.40997700             1.000000000000
F    P
      2.12837600             1.000000000000
F    P
      1.02828800             1.000000000000
F    P
      0.49075700             1.000000000000
F    P
      0.23007300             1.000000000000
F    P
      0.10376600             1.000000000000
F    P
      0.03458900             1.000000000000
F    D
     12.63449500             1.000000000000
F    D
      6.11247920             1.000000000000
F    D
      2.95717430             1.000000000000
F    D
      1.43066000             1.000000000000
F    D
      0.69214320             1.000000000000
F    D
      0.33485400             1.000000000000
F    D
      0.13394200             1.000000000000
F    F
     11.64432400             1.000000000000
F    F
      5.57144690             1.000000000000
F    F
      2.66576410             1.000000000000
F    F
      1.27548520             1.000000000000
F    F
      0.61028000             1.000000000000
F    F
      0.25428300             1.000000000000
F    G
      8.28639530             1.000000000000
F    G
      3.91052160             1.000000000000
F    G
      1.84545620             1.000000000000
F    G
      0.87090900             1.000000000000
F    G
      0.39586770             1.000000000000
F    H
      7.76269690             1.000000000000
F    H
      3.48103000             1.000000000000
F    H
      1.56100000             1.000000000000
F    H
      0.78050000             1.000000000000
F    I
      5.53000000             1.000000000000
F    I
      2.16000000             1.000000000000
F    I
      1.08000000             1.000000000000
F    K
      4.25600000             1.000000000000
F    K
      1.59700000             1.000000000000
end
basis "Ne_aug-cc-pV7Z" SPHERICAL 
#basis SET: (31s,13p,7d,6f,5g,4h,3i,2k) -> [9s,8p,7d,6f,5g,4h,3i,2k]
Ne    S
2636740.00000000             0.000001440000
 394695.00000000             0.000011220000
  89814.20000000             0.000058990000
  25439.50000000             0.000249480000
   8292.48000000             0.000910340000
   2991.77000000             0.002970990000
   1166.58000000             0.008836340000
    483.92700000             0.024128060000
    211.04900000             0.059888510000
     95.96840000             0.130974150000
     45.17840000             0.238356210000
     21.88590000             0.324182820000
Ne    S
2636740.00000000            -0.000000340000
 394695.00000000            -0.000002630000
  89814.20000000            -0.000013860000
  25439.50000000            -0.000058570000
   8292.48000000            -0.000214200000
   2991.77000000            -0.000699200000
   1166.58000000            -0.002094490000
    483.92700000            -0.005769250000
    211.04900000            -0.014722180000
     95.96840000            -0.033720660000
     45.17840000            -0.068187320000
     21.88590000            -0.112897020000
Ne    S
     10.83230000             1.000000000000
Ne    S
      5.38014000             1.000000000000
Ne    S
      2.43637000             1.000000000000
Ne    S
      1.11925000             1.000000000000
Ne    S
      0.50669700             1.000000000000
Ne    S
      0.22345000             1.000000000000
Ne    S
      0.10115800             1.000000000000
Ne    P
   2081.84000000             0.000035900000
    494.12400000             0.000316530000
    160.70800000             0.001792150000
     61.41720000             0.007579340000
     25.86760000             0.025395680000
     11.61990000             0.069519430000
Ne    P
      5.46353000             1.000000000000
Ne    P
      2.62574000             1.000000000000
Ne    P
      1.26106000             1.000000000000
Ne    P
      0.59777800             1.000000000000
Ne    P
      0.27813600             1.000000000000
Ne    P
      0.12436200             1.000000000000
Ne    P
      0.05786400             1.000000000000
Ne    D
     16.27000000             1.000000000000
Ne    D
      7.80882000             1.000000000000
Ne    D
      3.74786000             1.000000000000
Ne    D
      1.79879000             1.000000000000
Ne    D
      0.86333600             1.000000000000
Ne    D
      0.41436000             1.000000000000
Ne    D
      0.18997400             1.000000000000
Ne    F
     17.00780000             1.000000000000
Ne    F
      7.96028000             1.000000000000
Ne    F
      3.72569000             1.000000000000
Ne    F
      1.74376000             1.000000000000
Ne    F
      0.81614000             1.000000000000
Ne    F
      0.38198400             1.000000000000
Ne    G
     10.10510000             1.000000000000
Ne    G
      4.82848000             1.000000000000
Ne    G
      2.30718000             1.000000000000
Ne    G
      1.10243000             1.000000000000
Ne    G
      0.52677100             1.000000000000
Ne    H
      9.85490000             1.000000000000
Ne    H
      4.45959000             1.000000000000
Ne    H
      2.01808000             1.000000000000
Ne    H
      0.91323200             1.000000000000
Ne    I
      7.28237000             1.000000000000
Ne    I
      2.92594000             1.000000000000
Ne    I
      1.17559600             1.000000000000
Ne    K
      5.25600000             1.000000000000
Ne    K
      1.97400000             1.000000000000
end
