%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                 -0.219   1.752  -0.275                       
S                  2.440  -1.434   1.969                       
O                 -0.553   2.597  -1.448                       
O                 -0.121   2.473   1.023                       
O                  3.436  -0.402  -1.472                       
N                  1.120   0.941  -0.690                       
N                  1.333  -0.287   1.398                       
N                 -4.676  -2.231   0.201                       
N                  3.436  -1.482   0.599                       
C                 -1.574   0.586  -0.110                       
C                 -1.936   0.074   1.140                       
C                 -2.266   0.169  -1.254                       
C                  1.701   0.066   0.173                       
C                 -3.679  -1.272   0.103                       
C                 -2.977  -0.841   1.247                       
C                 -3.306  -0.747  -1.151                       
C                  2.923  -0.645  -0.255                       
C                  4.625  -1.128  -1.814                       
H                 -1.402   0.401   2.023                       
H                 -1.999   0.580  -2.222                       
H                 -3.258  -1.230   2.222                       
H                 -3.843  -1.059  -2.043                       
H                 -5.120  -2.312   1.106                       
H                 -5.348  -2.246  -0.555                       
H                  4.891  -0.805  -2.820                       
H                  4.438  -2.206  -1.800                       
H                  5.434  -0.898  -1.115                       

charges.txt