%NProcShared=64
%Mem=64Gb
#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                 -0.091   1.327  -1.592                       
S                 -4.449   0.333   0.536                       
S                  4.355  -3.016   2.492                       
O                  1.289   0.988   2.638                       
O                 -1.087   2.949   3.427                       
O                 -2.857   1.587   3.052                       
O                  4.776   1.683  -0.019                       
O                  4.958   0.261  -2.692                       
O                 -5.095   0.949  -1.996                       
O                 -6.477  -1.355  -2.490                       
N                 -0.002   2.160   0.999                       
N                  2.683   0.775  -0.208                       
N                  5.106  -0.843  -1.854                       
N                  5.314  -2.866   0.070                       
N                  5.849  -4.889   1.163                       
C                  0.652   2.384  -0.290                       
C                  1.983   1.894   0.357                       
C                  1.104   1.581   1.597                       
C                 -1.388   2.098   1.241                       
C                 -2.230   2.014   0.184                       
C                 -1.803   1.928  -1.269                       
C                 -3.723   2.033   0.365                       
C                 -1.817   2.216   2.720                       
C                  4.044   0.736  -0.282                       
C                  4.612  -0.618  -0.684                       
C                  4.662  -1.671   0.336                       
C                 -5.194   0.128  -1.094                       
C                 -5.932  -1.125  -1.250                       
C                  4.083  -1.562   1.575                       
C                  5.242  -3.669   1.095                       
C                 -6.228  -2.176  -0.415                       
C                 -6.993  -3.100  -1.181                       
C                 -7.111  -2.549  -2.427                       
C                  5.512  -0.043  -3.975                       
H                  0.631   3.428  -0.609                       
H                  2.704   2.698   0.515                       
H                 -1.925   2.900  -1.760                       
H                 -2.457   1.229  -1.799                       
H                  2.167  -0.077  -0.384                       
H                 -4.013   2.539   1.281                       
H                 -4.226   2.472  -0.500                       
H                  3.498  -0.754   1.992                       
H                 -5.936  -2.274   0.620                       
H                 -7.401  -4.044  -0.853                       
H                 -7.596  -2.875  -3.334                       
H                  5.361   0.855  -4.576                       
H                  4.993  -0.890  -4.436                       
H                  6.581  -0.264  -3.899                       
H                  5.466  -5.574   1.800                       
H                  6.135  -5.268   0.269                       

charges.txt