%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                  1.206  -1.798  -0.707                       
O                  2.207  -2.319  -1.676                       
O                  0.806  -2.771   0.346                       
O                 -4.220   0.828  -2.165                       
N                 -0.009  -1.226  -1.610                       
N                 -1.186  -0.353   0.288                       
N                 -3.319   0.692  -0.028                       
N                  4.094   2.691   2.033                       
C                  2.003  -0.424   0.137                       
C                  2.359  -0.534   1.482                       
C                  2.333   0.737  -0.571                       
C                 -1.085  -0.607  -1.054                       
C                  3.034   0.504   2.119                       
C                  3.003   1.778   0.060                       
C                  3.369   1.679   1.418                       
C                 -2.129  -0.201  -1.917                       
C                 -3.216   0.441  -1.340                       
C                 -2.279   0.273   0.718                       
C                 -2.381   0.540   2.200                       
C                 -5.347   1.487  -1.576                       
H                  2.095  -1.431   2.030                       
H                  2.051   0.834  -1.615                       
H                  3.304   0.411   3.167                       
H                  3.249   2.679  -0.495                       
H                 -2.081  -0.384  -2.983                       
H                 -2.582   1.600   2.386                       
H                 -3.216  -0.024   2.632                       
H                 -1.460   0.251   2.707                       
H                  4.028   2.724   3.042                       
H                  4.001   3.609   1.618                       
H                 -6.023   1.699  -2.405                       
H                 -5.052   2.419  -1.087                       
H                 -5.844   0.847  -0.842                       

charges.txt