File: aug-cc-pVTZ-J

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$Basis = aug-cc-pVTZ-J

$Elements supported
$H C N O F S
$
$  REFERENCE   P. F. Provasi, G. A. Aucar and S. P. A. Sauer, J. Chem. Phys. 115, 1324 (2001) 
$              T. H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989)
$              R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys. 96, 6769 (1992)).
$
************************************************************************
a 1
$ HYDROGEN     (9s,2p,1d) -> [5s,2p,1d]
$ HYDROGEN     Diffuse (1s,1p)
$ S-TYPE FUNCTIONS
   10    6    0
  66145.0000000  0.4137D-06  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   9950.0000000  0.3097D-05  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   1496.0000000  0.00004256  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    225.0000000  0.0003665   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     33.8700000  0.004709    0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
      5.0950000  0.03745     1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
      1.1590000  0.1536      0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      0.3258000  0.2868      0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.1027000  0.0         0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0252600  0.0         0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    3    3    0
      1.4070000  1.00000000  0.00000000  0.00000000
      0.3880000  0.00000000  1.00000000  0.00000000
      0.1020000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      1.0570000  1.00000000  
a 6
$ CARBON       (14s,5p,2d,1f) -> [8s,4p,2d,1f]
$ CARBON       Diffuse (1s,1p,1d)
$ S-TYPE FUNCTIONS
   15    9    0
 16289729.0      0.4196D-07  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
 2442668.0       0.3147D-06  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
 366281.0        0.4349D-05  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
  54924.0        0.00003761  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   8236.0000000  0.0004893   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   1235.0000000  0.004143    0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    280.8000000  0.02103     0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     79.2700000  0.08187     1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     25.5900000  0.2345      0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
      8.9970000  0.4340      0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
      3.3190000  0.3446      0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
      0.9059000  0.04465     0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000  0.00000000
      0.3643000 -0.01577     0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000  0.00000000
      0.1285000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  
     0.00000000  1.00000000  0.00000000
      0.0440200  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    5    0
     18.7100000  0.00964100  0.00000000  0.00000000  0.00000000  0.00000000
      4.1330000  0.05747000  0.00000000  0.00000000  0.00000000  0.00000000
      1.2000000  0.19090000  1.00000000  0.00000000  0.00000000  0.00000000
      0.3827000  0.29730000  0.00000000  1.00000000  0.00000000  0.00000000
      0.1209000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0356900  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    3    3    0
      1.0970000  1.00000000  0.00000000  0.00000000
      0.3180000  0.00000000  1.00000000  0.00000000
      0.1000000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
      0.7610000  1.00000000  
a 7
$ NITROGEN     (14s,5p,2d,1f) -> [8s,4p,2d,1f]
$ NITROGEN     Diffuse (1s,1p,1d)
$ S-TYPE FUNCTIONS
   15    9    0
 22610777.0      0.4127D-07  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000                                                
 3389636.0       0.3096D-06  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000                                                
 508148.0        0.4282D-05  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000                                                
  76177.0        0.00003702  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000                                                
  11420.000000   0.0004820   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000                                                
   1712.000000   0.004081    0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000                                                
    389.300000   0.02073     0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000                                                
    110.000000   0.08078     1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000                                                
     35.570000   0.2329      0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000                                                
     12.540000   0.4335      0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000                                                
      4.644000   0.3464      0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000  0.00000000                                                
      1.293000   0.04417     0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000  0.00000000
      0.511800  -0.01177     0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000  0.00000000
      0.1787000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  
     0.00000000  1.00000000  0.00000000
      0.0576000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    5    0
     26.6300000  0.01039000  0.00000000  0.00000000  0.00000000  0.00000000
      5.9480000  0.06324000  0.00000000  0.00000000  0.00000000  0.00000000
      1.7420000  0.20550000  1.00000000  0.00000000  0.00000000  0.00000000
      0.5550000  0.30680000  0.00000000  1.00000000  0.00000000  0.00000000
      0.1725000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0491000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    3    3    0
      1.6540000  1.00000000  0.00000000  0.00000000
      0.4690000  0.00000000  1.00000000  0.00000000
      0.1510000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
      1.0930000  1.00000000  
a 8
$ OXYGEN       (14s,5p,2d,1f) -> [8s,4p,2d,1f]
$ OXYGEN       Diffuse (1s,1p,1d)
$ S-TYPE FUNCTIONS
   15    9    0
 30307833.0      0.4018D-07  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
 4545186.0       0.3012D-06  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
 681629.0        0.4163D-05  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
 102222.0        0.00003599  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
  15330.0000000  0.0004683   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
   2299.0000000  0.003965    0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
    522.4000000  0.02020     0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
    147.3000000  0.07923     1.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
     47.5500000  0.2305      0.00000000  1.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
     16.7600000  0.4332      0.00000000  0.00000000  1.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
      6.2070000  0.3495      0.00000000  0.00000000  0.00000000  1.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
      1.7520000  0.04488     0.00000000  0.00000000  0.00000000  0.00000000  1.00000000 
     0.00000000  0.00000000  0.00000000                                                 
      0.6882000 -0.01119     0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     1.00000000  0.00000000  0.00000000                                                 
      0.2384000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  1.00000000  0.00000000                                                 
      0.0737600  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  1.00000000                                                
$ P-TYPE FUNCTIONS
    6    5    0
     34.4600000  0.01193000  0.00000000  0.00000000  0.00000000  0.00000000
      7.7490000  0.07277000  0.00000000  0.00000000  0.00000000  0.00000000
      2.2800000  0.22880000  1.00000000  0.00000000  0.00000000  0.00000000
      0.7156000  0.33740000  0.00000000  1.00000000  0.00000000  0.00000000
      0.2140000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0597400  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    3    3    0
      2.3140000  1.00000000  0.00000000  0.00000000
      0.6450000  0.00000000  1.00000000  0.00000000
      0.2140000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
      1.4280000  1.00000000  
a 9
$ FLUORINE     (14s,5p,2d,1f) -> [8s,4p,2d,1f]
$ FLUORINE     Diffuse (1s,1p,1d)
$ S-TYPE FUNCTIONS
   15    9
 38624049.0      0.4002D-07  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  
 5789645.0       0.3000D-06  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  
 867853.0        0.4152D-05  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000
 130088.0        0.00003589  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  
  19500.0        0.0004675   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  
   2923.0        0.003959    0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  
    664.5        0.02016     0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  
    187.5        0.07907     1.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  
     60.62       0.2303      0.00000000  1.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  
     21.42       0.4331      0.00000000  0.00000000  1.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  
      7.95       0.3493      0.00000000  0.00000000  0.00000000  1.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  
      2.257      0.04507     0.00000000  0.00000000  0.00000000  0.00000000  1.00000000 
     0.00000000  0.00000000  0.00000000  
      0.8815    -0.01112     0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     1.00000000  0.00000000  0.00000000  
      0.3041     0.0         0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  1.00000000  0.00000000  
      0.09158    0.0         0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    5    0
     43.8800000  0.01602000  0.00000000  0.00000000  0.00000000  0.00000000
      9.9260000  0.10050000  0.00000000  0.00000000  0.00000000  0.00000000
      2.9300000  0.30270000  1.00000000  0.00000000  0.00000000  0.00000000
      0.9132000  0.47140300  0.00000000  1.00000000  0.00000000  0.00000000
      0.2672000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0736100  0.00000000  0.0000000   0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    3    3    0
      3.1070000  1.00000000  0.00000000  0.00000000
      0.8550000  0.00000000  1.00000000  0.00000000
      0.2920000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
      1.9170000  1.00000000
a 16
$ SULFUR       (16s,9p,5d,1f) -> [9s,6p,5d,1f]
$ SULFUR       Diffuse (1s,1p,1d)
$ S-TYPE FUNCTIONS
   17   10    0
 742396769.0     0.4264D-08 -0.1178D-08  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000					
 111230523.0     0.3185D-07 -0.8783D-08  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000					
 16665252.0      0.4429D-06 -0.1224D-06  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000					
 2496892.0       0.3819D-05 -0.1053D-05  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000					
 374100.0000     0.00004994 -0.00001380  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000					
  56050.0000     0.0004247  -0.0001172   0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000					
  12760.0000     0.002203   -0.0006101   0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000					
   3615.0000     0.009197   -0.002554    0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000					
   1183.0000     0.03211    -0.009080    0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000					
    428.8000     0.09468    -0.02770     0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000					
    167.8000     0.2236     -0.07195     0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000					
     69.4700     0.3744     -0.1464      0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000					
     29.8400     0.3291     -0.1949      1.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000					
     12.7200     0.08477     0.007788    0.00000000  1.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000					
      5.2440     0.0003640   0.5167      0.00000000  0.00000000  1.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000  0.00000000
      2.2190     0.001773    0.5411      0.00000000  0.00000000  0.00000000  1.00000000  
     0.00000000  0.00000000  0.00000000  0.00000000
      0.7767    -0.0008605   0.07188     0.00000000  0.00000000  0.00000000  0.00000000  
     1.00000000  0.00000000  0.00000000  0.00000000
      0.3490000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000  0.00000000  0.00000000
      0.1322000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  1.00000000  0.00000000
      0.0497000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   10    7    0
    574.4000000  0.002426   -0.0005919   0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
    135.8000000  0.01930    -0.004707    0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     43.1900000  0.08869    -0.02222     0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     15.8700000  0.2550     -0.06525     0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
      6.2080000  0.4348     -0.1186      0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
      2.4830000  0.3543     -0.09134     1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
      0.8688000  0.06134     0.2150      0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000
      0.3229000  0.0         0.0         0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000
      0.1098000  0.0         0.0         0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000
      0.0351000  0.0         0.0         0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000
$ D-TYPE FUNCTIONS
    6    6    0
     23.1142     1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
      7.5918	 0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
      2.4935	 0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      0.2690000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  
      0.8190000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1010000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
      0.5570000  1.00000000