%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                 -1.726   1.452   0.002                       
O                 -2.104  -2.709  -0.720                       
O                 -6.278  -0.192  -0.125                       
O                 -5.327  -1.119   1.712                       
O                  2.005  -1.923   1.241                       
N                 -2.761  -0.872   0.626                       
N                  0.466  -0.877  -0.084                       
N                  3.838  -1.821  -0.796                       
N                  4.745  -1.619  -1.608                       
N                  5.637  -1.551  -2.318                       
C                 -1.665  -0.017   1.106                       
C                 -3.614   1.301  -0.081                       
C                 -3.907  -0.243  -0.040                       
C                 -0.667  -1.164   0.744                       
C                 -1.912  -1.803   0.064                       
C                 -4.213   2.043   1.125                       
C                 -4.113   1.917  -1.390                       
C                 -5.309  -0.561   0.592                       
C                  1.731  -1.262   0.246                       
C                  2.813  -0.742  -0.718                       
C                  3.381   0.581  -0.222                       
C                  3.302   1.723  -1.026                       
C                  3.996   0.664   1.036                       
C                  3.828   2.938  -0.579                       
C                  4.523   1.876   1.478                       
C                  4.440   3.016   0.673                       
H                 -1.720   0.272   2.157                       
H                 -3.923  -0.622  -1.068                       
H                 -0.314  -1.713   1.619                       
H                 -3.910   3.093   1.116                       
H                 -5.304   1.993   1.070                       
H                 -3.901   1.599   2.074                       
H                 -3.947   2.999  -1.413                       
H                 -3.618   1.469  -2.256                       
H                 -5.186   1.720  -1.462                       
H                  0.310  -0.347  -0.931                       
H                  2.376  -0.592  -1.712                       
H                  2.831   1.664  -2.004                       
H                  4.054  -0.222   1.660                       
H                  3.762   3.819  -1.211                       
H                  4.998   1.933   2.453                       
H                  4.851   3.959   1.020                       

charges.txt