%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

-2 1
O                  1.437   8.737   0.516                       
O                 -0.438   6.558   2.498                       
O                 -0.848  -3.523  -0.993                       
O                 -2.961  -2.249   0.993                       
O                 -1.348  -1.000   1.967                       
O                  4.306  -8.200   2.093                       
N                 -1.374   6.685  -0.248                       
N                  0.952   8.279   1.830                       
N                  0.103  -0.956  -0.416                       
N                 -1.272  -4.645  -1.678                       
C                  0.001   6.949   0.084                       
C                  0.504   8.273  -0.463                       
C                  0.142   7.250   1.627                       
C                 -1.169   4.167  -0.340                       
C                 -1.840   5.499  -0.356                       
C                 -0.060   1.560  -0.336                       
C                 -1.321  -1.229  -0.444                       
C                 -1.751   3.133   0.411                       
C                 -0.024   3.874  -1.100                       
C                 -1.202   1.852   0.429                       
C                  0.526   2.596  -1.086                       
C                 -1.591  -2.365  -1.422                       
C                  0.591   0.224  -0.376                       
C                 -1.924  -1.543   0.992                       
C                  0.550  -5.971  -0.530                       
C                  0.953  -7.321  -0.416                       
C                  1.272  -4.986   0.177                       
C                  2.741  -6.699   1.082                       
C                 -0.599  -5.712  -1.408                       
C                  2.028  -7.684   0.379                       
C                  2.355  -5.356   0.970                       
C                  3.890  -7.061   1.934                       
H                  0.694   6.127  -0.139                       
H                  1.027   8.215  -1.424                       
H                 -0.352   8.962  -0.558                       
H                 -2.927   5.432  -0.486                       
H                 -1.905  -0.368  -0.809                       
H                 -2.638   3.343   1.003                       
H                  0.426   4.641  -1.722                       
H                 -1.620   1.079   1.065                       
H                  1.414   2.389  -1.678                       
H                 -2.657  -2.598  -1.409                       
H                 -1.277  -2.102  -2.440                       
H                  1.685   0.282  -0.427                       
H                  0.406  -8.085  -0.961                       
H                  0.989  -3.947   0.097                       
H                 -0.979  -6.579  -1.946                       
H                  2.334  -8.721   0.468                       
H                  2.910  -4.594   1.511                       
H                  4.378  -6.205   2.444                       

charges.txt