%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
O                  2.524  -2.422  -0.387                       
O                  5.086  -1.216   0.336                       
O                  5.075   1.030   0.130                       
N                 -3.312  -0.253  -0.002                       
N                  1.026   1.369   0.275                       
N                 -1.163   0.573   0.129                       
N                 -1.590  -1.778  -0.251                       
C                 -5.388   0.856  -0.102                       
C                 -5.617  -0.603   0.326                       
C                 -3.896   1.082   0.180                       
C                 -4.328  -1.310  -0.116                       
C                 -1.982  -0.483  -0.041                       
C                  0.151   0.319   0.096                       
C                  0.683  -0.974  -0.109                       
C                  0.534   2.750   0.439                       
C                 -0.282  -1.979  -0.278                       
C                  2.376   1.121   0.256                       
C                  2.130  -1.267  -0.150                       
C                  2.979  -0.094   0.086                       
C                  0.287   3.451  -0.897                       
C                  4.521  -0.105   0.184                       
H                 -5.587   0.970  -1.173                       
H                 -6.021   1.567   0.435                       
H                 -5.720  -0.665   1.415                       
H                 -6.507  -1.051  -0.123                       
H                 -3.432   1.801  -0.499                       
H                 -3.723   1.437   1.205                       
H                 -4.065  -2.166   0.510                       
H                 -4.396  -1.666  -1.153                       
H                 -0.385   2.703   1.023                       
H                  1.284   3.286   1.025                       
H                  0.064  -2.997  -0.444                       
H                  3.013   1.987   0.395                       
H                  1.204   3.502  -1.491                       
H                 -0.476   2.924  -1.476                       
H                 -0.062   4.473  -0.719                       

charges.txt