%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                  5.453  -0.223   0.266                       
O                  0.875  -1.606   0.036                       
O                 -1.201  -1.105   2.985                       
O                 -0.867   1.837   1.749                       
O                  2.230   2.601   2.345                       
O                 -3.579  -0.043   1.458                       
O                  3.091   3.014   0.292                       
O                 -1.907  -1.817  -1.943                       
O                 -3.582  -0.650  -2.901                       
O                 -9.248   0.434  -0.788                       
N                  0.946   0.343   1.364                       
N                 -1.747  -1.161   0.657                       
N                  8.071  -0.232  -0.540                       
N                  6.733   0.511  -2.086                       
N                  8.831   0.081  -1.619                       
N                  8.021   0.520  -2.524                       
C                 -0.832  -0.750   1.680                       
C                  0.657  -1.083   1.317                       
C                 -0.350   0.748   1.638                       
C                  2.080   0.887   0.734                       
C                  2.736   0.042  -0.099                       
C                  2.219  -1.357  -0.401                       
C                 -3.057  -0.761   0.607                       
C                  4.023   0.417  -0.766                       
C                  2.506   2.314   1.158                       
C                 -1.468  -2.496   3.181                       
C                 -3.840  -1.362  -0.582                       
C                 -5.262  -0.863  -0.634                       
C                 -3.038  -1.246  -1.952                       
C                 -5.560   0.484  -0.886                       
C                 -6.336  -1.740  -0.444                       
C                  6.781   0.038  -0.845                       
C                 -6.875   0.941  -0.940                       
C                 -7.662  -1.303  -0.499                       
C                 -7.934   0.044  -0.746                       
C                  8.656  -0.761   0.685                       
H                  1.200  -1.652   2.083                       
H                 -1.405  -1.597  -0.214                       
H                  2.200  -1.513  -1.484                       
H                  2.896  -2.115   0.025                       
H                  4.114   1.500  -0.818                       
H                  4.127  -0.040  -1.752                       
H                 -3.857  -2.442  -0.385                       
H                 -2.341  -2.824   2.608                       
H                 -0.606  -3.117   2.902                       
H                 -1.665  -2.619   4.247                       
H                 -4.749   1.186  -1.047                       
H                 -6.139  -2.791  -0.248                       
H                 -7.082   1.990  -1.135                       
H                 -8.486  -1.993  -0.350                       
H                  8.418  -0.106   1.525                       
H                  9.734  -0.799   0.541                       
H                  8.274  -1.765   0.880                       
H                 -9.292   1.384  -0.962                       

charges.txt