%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                 -0.670   1.863   0.763                       
O                 -1.548   2.586   1.721                       
O                 -0.043   2.717  -0.281                       
N                  0.383   1.044   1.690                       
N                  1.418  -0.041  -0.178                       
N                  3.276  -1.510   0.198                       
N                 -4.318  -1.979  -2.051                       
C                 -1.747   0.707  -0.092                       
C                  1.319   0.221   1.151                       
C                 -2.721   0.008   0.631                       
C                 -1.623   0.492  -1.467                       
C                  2.233  -0.406   2.048                       
C                 -3.557  -0.898  -0.011                       
C                 -2.463  -0.408  -2.115                       
C                 -3.443  -1.123  -1.398                       
C                  3.189  -1.254   1.532                       
C                  2.380  -0.886  -0.574                       
C                  4.197  -1.951   2.408                       
C                  2.458  -1.147  -2.060                       
H                 -2.830   0.179   1.697                       
H                 -0.869   1.036  -2.021                       
H                  2.164  -0.205   3.112                       
H                 -4.312  -1.435   0.557                       
H                 -2.365  -0.564  -3.186                       
H                  4.112  -3.038   2.297                       
H                  5.215  -1.681   2.107                       
H                  4.065  -1.696   3.462                       
H                  1.487  -1.476  -2.443                       
H                  2.717  -0.227  -2.597                       
H                  3.210  -1.906  -2.279                       
H                 -4.746  -2.691  -1.474                       
H                 -3.990  -2.353  -2.932                       

charges.txt