%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                  1.278  -1.178  -0.129                       
O                  1.217  -2.487   0.575                       
O                  1.670  -1.256  -1.563                       
O                  1.991   1.678  -0.580                       
N                  2.236  -0.239   0.778                       
N                 -4.342   0.923   0.027                       
N                  3.277   1.729   1.303                       
C                 -0.400  -0.535  -0.092                       
C                 -0.819   0.437  -1.008                       
C                 -1.295  -1.000   0.877                       
C                 -3.028   0.472   0.015                       
C                 -2.117   0.933  -0.957                       
C                 -2.594  -0.505   0.932                       
C                  2.454   1.057   0.394                       
H                 -0.119   0.809  -1.744                       
H                 -0.972  -1.761   1.579                       
H                 -2.437   1.684  -1.673                       
H                 -3.285  -0.877   1.684                       
H                 -4.496   1.828  -0.397                       
H                 -4.826   0.832   0.910                       
H                  3.732   2.542   0.911                       
H                  3.882   1.143   1.862                       

charges.txt