%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                 -0.555  -1.938  -0.131                       
O                 -1.366  -2.900  -0.923                       
O                 -0.154  -2.422   1.219                       
N                  0.675  -1.525  -1.097                       
N                  2.610  -0.432  -1.646                       
N                  1.574   0.046   0.465                       
N                 -4.207   2.754   0.694                       
C                 -1.633  -0.522   0.130                       
C                 -2.585  -0.196  -0.843                       
C                 -1.530   0.263   1.281                       
C                 -3.329   1.698   0.489                       
C                 -3.423   0.900  -0.669                       
C                 -2.369   1.358   1.462                       
C                  1.620  -0.620  -0.720                       
C                  3.603   1.195  -0.160                       
C                  3.557   0.451  -1.348                       
C                  2.548   0.925   0.711                       
C                  4.691   2.192   0.143                       
H                 -2.677  -0.812  -1.731                       
H                 -0.788   0.012   2.028                       
H                 -4.163   1.142  -1.427                       
H                 -2.287   1.959   2.364                       
H                  4.338   0.585  -2.099                       
H                  2.487   1.450   1.666                       
H                  4.533   2.656   1.121                       
H                  5.682   1.722   0.156                       
H                  4.727   2.995  -0.602                       
H                 -3.889   3.469   1.336                       
H                 -4.616   3.151  -0.141                       

charges.txt