%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

-1 1
S                  2.328  -0.730  -1.824                       
O                  1.214   2.039   1.193                       
O                  5.973   1.825   0.093                       
O                  5.225   0.452   1.733                       
O                 -1.922  -1.376   1.037                       
O                 -4.052  -0.619  -0.553                       
N                  2.686   0.290   0.563                       
N                 -0.454  -0.253  -0.306                       
C                  2.040  -0.898  -0.017                       
C                  4.011   0.068  -1.472                       
C                  3.798   0.913  -0.164                       
C                  0.679  -0.390   0.560                       
C                  1.488   0.900   0.877                       
C                  5.050  -1.049  -1.284                       
C                  4.397   0.966  -2.649                       
C                  5.129   1.075   0.652                       
C                 -1.682  -0.768  -0.000                       
C                 -2.742  -0.558  -1.101                       
C                 -2.652  -1.651  -2.181                       
C                 -2.875  -3.077  -1.669                       
C                 -4.517   0.415   0.218                       
C                 -3.776   1.552   0.565                       
C                 -5.842   0.283   0.657                       
C                 -4.374   2.547   1.347                       
C                 -6.421   1.281   1.435                       
C                 -5.691   2.422   1.785                       
H                  2.402  -1.857   0.357                       
H                  3.468   1.919  -0.448                       
H                  0.359  -0.942   1.445                       
H                  4.818  -1.683  -0.424                       
H                  5.101  -1.677  -2.177                       
H                  6.034  -0.600  -1.117                       
H                  4.581   0.381  -3.555                       
H                  3.619   1.705  -2.861                       
H                  5.314   1.497  -2.378                       
H                 -0.331   0.262  -1.168                       
H                 -2.585   0.418  -1.580                       
H                 -3.397  -1.405  -2.945                       
H                 -1.670  -1.568  -2.660                       
H                 -2.825  -3.786  -2.500                       
H                 -2.119  -3.366  -0.933                       
H                 -3.857  -3.175  -1.199                       
H                 -2.748   1.674   0.249                       
H                 -6.398  -0.606   0.375                       
H                 -3.792   3.424   1.613                       
H                 -7.449   1.168   1.768                       
H                 -6.144   3.200   2.392                       

charges.txt