#  aug-cc-pVTZ-J  EMSL  Basis Set Exchange Library  3/19/10 12:42 PM
# Elements                             References
# --------                             ----------
# H C N O F: T. Enevoldsen, J. Oddershede and S. P. A. Sauer, Correlated calculations of indirect nuclear spin-spin coupling constants using second order polarization propagator approximations : SOPPA and SOPPA(CCSD), Theor. Chem. Acc. 100, 275-284 (1998).
# H C N O S: Provasi, G. A. Aucar and S. P. A. Sauer, The effect of lone-pairs and electronegativity on the indirect nuclear spin-spin coupling constants in CH2X (X = CH2, NH, O, S). Ab initio calculations using optimized contracted basis sets, J. Chem. Phys. 115, 1324-1334 (2001).
# F: V. Barone, P. F. Provasi, J. E. Peralta, J. P. Snyder, S. P. A. Sauer and R. H. Contreras, DFT Substituent Effects on Scalar 2J(19F, 19F) and 3J(19F,19F) NMR Couplings: A Comparison of SOPPA and DFT Methods, J. Phys. Chem. A 107, 4748-4754 (2003).
# H C N O F: T. H. Dunning, Jr., Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen, J. Chem. Phys. 90, 1007 (1989).
# H C N O F: R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions, J. Chem. Phys. 96, 6796 (1992).
# S: D. E. Woon and T. H. Dunning, Jr., Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon, J. Chem. Phys. 98, 1358 (1993).
# 



basis "H_aug-cc-pVTZ-J" SPHERICAL
H    S
  66145.0000000              0.4137D-06       
   9950.0000000              0.3097D-05       
   1496.0000000              0.00004256       
    225.0000000              0.0003665        
     33.8700000              0.0047090        
      5.0950000              0.0374500        
      1.1590000              0.1536000        
      0.3258000              0.2868000        
H    S
      5.0950000              1.0000000        
H    S
      1.1590000              1.0000000        
H    S
      0.3258000              1.0000000        
H    S
      0.1027000              1.0000000        
H    S
      0.0252600              1.0000000        
H    P
      1.4070000              1.0000000        
H    P
      0.3880000              1.0000000        
H    P
      0.1020000              1.0000000        
H    D
      1.0570000              1.0000000        
end
basis "C_aug-cc-pVTZ-J" SPHERICAL
C    S
 16289729.0000000            0.4196D-07       
 2442668.0000000             0.3147D-06       
 366281.0000000              0.4349D-05       
  54924.0000000              0.00003761       
   8236.0000000              0.0004893        
   1235.0000000              0.0041430        
    280.8000000              0.0210300        
     79.2700000              0.0818700        
     25.5900000              0.2345000        
      8.9970000              0.4340000        
      3.3190000              0.3446000        
      0.9059000              0.0446500        
      0.3643000             -0.0157700        
C    S
     79.2700000              1.0000000        
C    S
     25.5900000              1.0000000        
C    S
      8.9970000              1.0000000        
C    S
      3.3190000              1.0000000        
C    S
      0.9059000              1.0000000        
C    S
      0.3643000              1.0000000        
C    S
      0.1285000              1.0000000        
C    S
      0.0440200              1.0000000        
C    P
     18.7100000              0.00964100       
      4.1330000              0.05747000       
      1.2000000              0.19090000       
      0.3827000              0.29730000       
C    P
      1.2000000              1.0000000        
C    P
      0.3827000              1.0000000        
C    P
      0.1209000              1.0000000        
C    P
      0.0356900              1.0000000        
C    D
      1.0970000              1.0000000        
C    D
      0.3180000              1.0000000        
C    D
      0.1000000              1.0000000        
C    F
      0.7610000              1.0000000        
end
basis "N_aug-cc-pVTZ-J" SPHERICAL
N    S
 22610777.0000000            0.4127D-07       
 3389636.0000000             0.3096D-06       
 508148.0000000              0.4282D-05       
  76177.0000000              0.00003702       
  11420.0000000              0.0004820        
   1712.0000000              0.0040810        
    389.3000000              0.0207300        
    110.0000000              0.0807800        
     35.5700000              0.2329000        
     12.5400000              0.4335000        
      4.6440000              0.3464000        
      1.2930000              0.0441700        
      0.5118000             -0.0117700        
N    S
    110.0000000              1.0000000        
N    S
     35.5700000              1.0000000        
N    S
     12.5400000              1.0000000        
N    S
      4.6440000              1.0000000        
N    S
      1.2930000              1.0000000        
N    S
      0.5118000              1.0000000        
N    S
      0.1787000              1.0000000        
N    S
      0.0576000              1.0000000        
N    P
     26.6300000              0.01039000       
      5.9480000              0.06324000       
      1.7420000              0.20550000       
      0.5550000              0.30680000       
N    P
      1.7420000              1.0000000        
N    P
      0.5550000              1.0000000        
N    P
      0.1725000              1.0000000        
N    P
      0.0491000              1.0000000        
N    D
      1.6540000              1.0000000        
N    D
      0.4690000              1.0000000        
N    D
      0.1510000              1.0000000        
N    F
      1.0930000              1.0000000        
end
basis "O_aug-cc-pVTZ-J" SPHERICAL
O    S
 30307833.0000000            0.4018D-07       
 4545186.0000000             0.3012D-06       
 681629.0000000              0.4163D-05       
 102222.0000000              0.00003599       
  15330.0000000              0.0004683        
   2299.0000000              0.0039650        
    522.4000000              0.0202000        
    147.3000000              0.0792300        
     47.5500000              0.2305000        
     16.7600000              0.4332000        
      6.2070000              0.3495000        
      1.7520000              0.0448800        
      0.6882000             -0.0111900        
O    S
    147.3000000              1.0000000        
O    S
     47.5500000              1.0000000        
O    S
     16.7600000              1.0000000        
O    S
      6.2070000              1.0000000        
O    S
      1.7520000              1.0000000        
O    S
      0.6882000              1.0000000        
O    S
      0.2384000              1.0000000        
O    S
      0.0737600              1.0000000        
O    P
     34.4600000              0.01193000       
      7.7490000              0.07277000       
      2.2800000              0.22880000       
      0.7156000              0.33740000       
O    P
      2.2800000              1.0000000        
O    P
      0.7156000              1.0000000        
O    P
      0.2140000              1.0000000        
O    P
      0.0597400              1.0000000        
O    D
      2.3140000              1.0000000        
O    D
      0.6450000              1.0000000        
O    D
      0.2140000              1.0000000        
O    F
      1.4280000              1.0000000        
end
basis "F_aug-cc-pVTZ-J" SPHERICAL
F    S
 38624049.0000000            0.4002D-07       
 5789645.0000000             0.3000D-06       
 867853.0000000              0.4152D-05       
 130088.0000000              0.00003589       
  19500.0000000              0.0004675        
   2923.0000000              0.0039590        
    664.5000000              0.0201600        
    187.5000000              0.0790700        
     60.6200000              0.2303000        
     21.4200000              0.4331000        
      7.9500000              0.3493000        
      2.2570000              0.0450700        
      0.8815000             -0.0111200        
F    S
    187.5000000              1.0000000        
F    S
     60.6200000              1.0000000        
F    S
     21.4200000              1.0000000        
F    S
      7.9500000              1.0000000        
F    S
      2.2570000              1.0000000        
F    S
      0.8815000              1.0000000        
F    S
      0.3041000              1.0000000        
F    S
      0.0915800              1.0000000        
F    P
     43.8800000              0.01602000       
      9.9260000              0.10050000       
      2.9300000              0.30270000       
      0.9132000              0.47140300       
F    P
      2.9300000              1.0000000        
F    P
      0.9132000              1.0000000        
F    P
      0.2672000              1.0000000        
F    P
      0.0736100              1.0000000        
F    D
      3.1070000              1.0000000        
F    D
      0.8550000              1.0000000        
F    D
      0.2920000              1.0000000        
F    F
      1.9170000              1.0000000        
end
basis "S_aug-cc-pVTZ-J" SPHERICAL
S    S
 742396769.0000000           0.4264D-08            -0.1178D-08       
 111230523.0000000           0.3185D-07            -0.8783D-08       
 16665252.0000000            0.4429D-06            -0.1224D-06       
 2496892.0000000             0.3819D-05            -0.1053D-05       
 374100.0000000              0.00004994            -0.00001380       
  56050.0000000              0.0004247             -0.0001172        
  12760.0000000              0.0022030             -0.0006101        
   3615.0000000              0.0091970             -0.0025540        
   1183.0000000              0.0321100             -0.0090800        
    428.8000000              0.0946800             -0.0277000        
    167.8000000              0.2236000             -0.0719500        
     69.4700000              0.3744000             -0.1464000        
     29.8400000              0.3291000             -0.1949000        
     12.7200000              0.0847700              0.0077880        
      5.2440000              0.0003640              0.5167000        
      2.2190000              0.0017730              0.5411000        
      0.7767000             -0.0008605              0.0718800        
S    S
     29.8400000              1.0000000        
S    S
     12.7200000              1.0000000        
S    S
      5.2440000              1.0000000        
S    S
      2.2190000              1.0000000        
S    S
      0.7767000              1.0000000        
S    S
      0.3490000              1.0000000        
S    S
      0.1322000              1.0000000        
S    S
      0.0497000              1.0000000        
S    P
    574.4000000              0.0024260             -0.0005919        
    135.8000000              0.0193000             -0.0047070        
     43.1900000              0.0886900             -0.0222200        
     15.8700000              0.2550000             -0.0652500        
      6.2080000              0.4348000             -0.1186000        
      2.4830000              0.3543000             -0.0913400        
      0.8688000              0.0613400              0.2150000        
S    P
      2.4830000              1.0000000        
S    P
      0.8688000              1.0000000        
S    P
      0.3229000              1.0000000        
S    P
      0.1098000              1.0000000        
S    P
      0.0351000              1.0000000        
S    D
     23.1142000              1.0000000        
S    D
      7.5918000              1.0000000        
S    D
      2.4935000              1.0000000        
S    D
      0.2690000              1.0000000        
S    D
      0.8190000              1.0000000        
S    D
      0.1010000              1.0000000        
S    F
      0.5570000              1.0000000        
end
