%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                 -4.219   0.738  -0.772                       
O                 -2.349  -2.473   1.275                       
O                 -6.953  -3.222  -0.243                       
O                 -6.638  -2.400   1.846                       
O                 -0.484   1.597   2.640                       
O                  2.507   0.673  -0.568                       
O                  2.044  -0.021   1.547                       
N                 -4.277  -1.107   1.085                       
N                 -1.447   0.582   0.840                       
C                 -4.022   0.339   1.012                       
C                 -5.581  -0.574  -0.904                       
C                 -5.139  -1.725   0.071                       
C                 -2.580   0.070   1.551                       
C                 -2.955  -1.422   1.321                       
C                 -6.915   0.066  -0.486                       
C                 -5.658  -1.075  -2.348                       
C                 -6.366  -2.529   0.631                       
C                 -0.466   1.309   1.450                       
C                  0.684   1.721   0.507                       
C                  1.238   3.104   0.833                       
C                  1.799   0.678   0.591                       
C                  8.215  -1.298  -0.641                       
C                  7.385  -0.307   0.214                       
C                  7.229  -2.433  -1.016                       
C                  5.971  -0.530  -0.280                       
C                  5.881  -1.743  -0.982                       
C                  4.848   0.276  -0.107                       
C                  3.641  -0.161  -0.651                       
C                  1.036   4.161  -0.061                       
C                  1.950   3.336   2.018                       
C                  4.663  -2.160  -1.517                       
C                  3.529  -1.358  -1.352                       
C                  1.531   5.435   0.225                       
C                  2.446   4.609   2.302                       
C                  2.237   5.662   1.407                       
H                 -4.669   0.961   1.632                       
H                 -4.517  -2.433  -0.487                       
H                 -2.466   0.340   2.602                       
H                 -7.144   0.923  -1.124                       
H                 -7.715  -0.673  -0.593                       
H                 -6.900   0.400   0.555                       
H                 -4.688  -1.443  -2.695                       
H                 -6.373  -1.902  -2.376                       
H                 -5.997  -0.288  -3.028                       
H                 -1.386   0.393  -0.151                       
H                  0.328   1.731  -0.526                       
H                  8.548  -0.794  -1.555                       
H                  9.105  -1.662  -0.123                       
H                  7.718   0.731   0.111                       
H                  7.452  -0.557   1.282                       
H                  7.258  -3.239  -0.269                       
H                  7.454  -2.891  -1.984                       
H                  4.895   1.223   0.422                       
H                  0.488   3.989  -0.984                       
H                  2.111   2.521   2.715                       
H                  4.587  -3.094  -2.066                       
H                  2.569  -1.648  -1.767                       
H                  1.365   6.247  -0.477                       
H                  2.997   4.777   3.222                       
H                  2.625   6.651   1.630                       

charges.txt