%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                 -0.727   0.972   1.956                       
O                 -2.493  -2.212  -1.247                       
O                 -3.848   4.084   1.342                       
O                  1.475  -1.181   1.813                       
O                 -4.663   1.134  -1.776                       
O                 -5.126  -0.613  -0.393                       
O                  6.635  -4.340  -0.171                       
O                  6.485  -2.447   1.054                       
O                 -4.383   6.153   1.878                       
N                 -2.225  -0.182   0.073                       
N                  0.592  -1.922  -0.189                       
N                  5.842  -0.897  -1.053                       
C                 -1.021  -0.170   0.783                       
C                 -0.650  -1.599   0.445                       
C                 -1.924  -1.553  -0.437                       
C                 -3.216   0.694   0.010                       
C                 -3.067   1.943   0.766                       
C                 -2.004   2.041   1.753                       
C                  1.733  -1.667   0.672                       
C                 -3.957   2.955   0.559                       
C                  3.002  -1.971   0.164                       
C                 -4.471   0.359  -0.813                       
C                  3.254  -2.670  -1.060                       
C                  4.446  -2.893  -1.687                       
C                  5.804  -2.362  -1.272                       
C                  6.362  -3.125  -0.006                       
C                 -4.541   5.242   1.097                       
C                 -5.437   5.293  -0.113                       
H                 -6.258   4.575  -0.022                       
H                 -5.850   6.298  -0.186                       
H                 -4.884   5.055  -1.026                       
H                  0.694  -1.514  -1.112                       
H                  4.895  -0.537  -1.152                       
H                  6.058  -0.813  -0.055                       
H                 -0.799  -2.271   1.300                       
H                 -1.962   2.901   2.409                       
H                 -4.742   2.900  -0.179                       
H                  3.842  -1.668   0.780                       
H                  2.375  -3.099  -1.545                       
H                  4.431  -3.524  -2.574                       
H                  6.505  -2.622  -2.081                       

charges.txt