%NProcShared=64
%Mem=54Gb
#B3LYP/6-31G(d,p) SCF=Tight Pop=(ESP,Dipole,Regular) Iop(6/33=2) Iop(6/42=6) Iop(6/50=1) gfinput

partial charges

-2 1
S                 -2.422   4.403   0.281                       
S                  5.038   0.520  -1.197                       
O                 -2.577   0.750  -1.855                       
O                 -1.916   5.444  -0.658                       
O                 -2.129   4.715   1.718                       
O                 -3.830   3.997   0.025                       
O                  6.066   1.582  -1.023                       
O                  4.857   0.054  -2.600                       
O                  2.546  -5.157   0.692                       
N                 -3.004  -0.103   1.495                       
N                 -3.084  -0.404   0.120                       
N                 -0.083   3.154   0.469                       
N                  5.434  -0.634  -0.139                       
N                  3.541  -2.007  -0.656                       
N                  2.837  -3.142  -0.422                       
C                 -1.399   2.888  -0.069                       
C                 -2.047   1.605   0.363                       
C                 -2.301   1.087   1.604                       
C                 -2.560   0.673  -0.622                       
C                 -1.918   1.605   2.953                       
C                 -4.096  -1.284  -0.349                       
C                 -2.666  -1.245   2.359                       
C                  1.068   2.505   0.080                       
C                 -3.885  -1.975  -1.550                       
C                 -5.290  -1.459   0.364                       
C                  1.094   1.573  -0.980                       
C                  2.283   2.799   0.743                       
C                  3.486   1.283  -0.710                       
C                  2.292   0.974  -1.363                       
C                  3.470   2.199   0.351                       
C                 -4.874  -2.830  -2.035                       
C                 -6.261  -2.335  -0.122                       
C                 -6.061  -3.020  -1.323                       
C                  4.679  -1.765   0.022                       
C                  5.160  -2.710   0.989                       
C                  4.448  -3.852   1.214                       
C                  3.259  -4.020   0.462                       
C                  1.344  -5.332  -0.063                       
H                 -1.352   2.860  -1.162                       
H                 -0.072   3.668   1.341                       
H                 -2.703   1.407   3.687                       
H                 -1.763   2.683   2.897                       
H                 -0.996   1.132   3.311                       
H                 -2.702  -0.914   3.396                       
H                 -3.410  -2.030   2.222                       
H                 -1.670  -1.639   2.130                       
H                 -2.959  -1.831  -2.092                       
H                 -5.454  -0.905   1.281                       
H                  0.180   1.309  -1.501                       
H                  2.282   3.517   1.559                       
H                  2.305   0.257  -2.174                       
H                  4.396   2.454   0.856                       
H                 -4.709  -3.359  -2.968                       
H                 -7.182  -2.471   0.437                       
H                 -6.822  -3.696  -1.699                       
H                  6.081  -2.494   1.520                       
H                  4.755  -4.607   1.930                       
H                  0.926  -6.283   0.269                       
H                  0.634  -4.522   0.128                       
H                  1.552  -5.367  -1.137                       

charges.txt