%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                 -1.429   1.461   0.022                       
O                 -1.862  -2.709  -0.615                       
O                 -5.998  -0.132  -0.049                       
O                 -5.051  -1.050   1.795                       
O                  2.271  -1.883   1.340                       
N                 -2.484  -0.838   0.700                       
N                  0.738  -0.903  -0.037                       
N                  4.083  -1.901  -0.817                       
C                 -1.374   0.013   1.153                       
C                 -3.319   1.331  -0.037                       
C                 -3.628  -0.209   0.029                       
C                 -0.393  -1.153   0.805                       
C                 -1.651  -1.791   0.150                       
C                 -3.897   2.096   1.165                       
C                 -3.826   1.935  -1.348                       
C                 -5.031  -0.504   0.670                       
C                  2.006  -1.277   0.307                       
C                  3.086  -0.833  -0.704                       
C                  3.748   0.451  -0.213                       
C                  3.621   1.634  -0.949                       
C                  4.490   0.460   0.977                       
C                  4.225   2.812  -0.504                       
C                  5.095   1.636   1.419                       
C                  4.273  -2.389  -1.973                       
C                  4.964   2.816   0.680                       
H                 -1.416   0.323   2.198                       
H                 -3.651  -0.603  -0.993                       
H                 -0.039  -1.687   1.689                       
H                 -3.583   3.142   1.139                       
H                 -4.989   2.057   1.123                       
H                 -3.579   1.662   2.117                       
H                 -3.648   3.014  -1.388                       
H                 -3.347   1.469  -2.214                       
H                 -4.902   1.750  -1.405                       
H                  0.583  -0.409  -0.906                       
H                  2.604  -0.629  -1.672                       
H                  3.053   1.634  -1.875                       
H                  4.584  -0.456   1.550                       
H                  4.120   3.724  -1.085                       
H                  5.668   1.633   2.341                       
H                  5.017  -3.177  -2.100                       
H                  3.733  -2.067  -2.874                       
H                  5.436   3.731   1.026                       

charges.txt