%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                  2.235  -2.467   0.462                       
O                  6.088   2.725  -0.080                       
O                  0.554  -3.837  -0.189                       
O                 -3.855   0.657  -0.031                       
O                 -7.238   1.252  -0.530                       
O                 -5.622   2.597   0.104                       
N                  3.928   0.817  -0.170                       
H                  3.137   1.454  -0.025                       
N                  0.220  -1.558   0.197                       
N                 -1.100  -1.586  -0.058                       
N                 -6.056   1.493  -0.246                       
C                  3.388  -0.578  -0.374                       
C                  2.426  -1.057   0.720                       
C                  4.651   1.295  -1.422                       
C                  4.852   0.947   1.030                       
C                  1.011  -0.433   0.684                       
C                  5.215   2.694  -1.199                       
C                  5.402   2.368   1.109                       
C                  0.945  -2.740   0.119                       
C                 -1.781  -0.499   0.083                       
C                 -3.197  -0.527  -0.194                       
C                 -4.079  -1.511  -0.601                       
C                 -5.349  -0.900  -0.693                       
C                 -5.150   0.411  -0.336                       
H                  2.871  -0.973   1.712                       
H                  2.885  -0.585  -1.343                       
H                  4.248  -1.248  -0.418                       
H                  5.449   0.574  -1.608                       
H                  3.936   1.277  -2.245                       
H                  4.290   0.700   1.930                       
H                  5.651   0.220   0.881                       
H                  0.673  -0.116   1.676                       
H                  0.934   0.418  -0.001                       
H                  5.797   2.976  -2.078                       
H                  4.400   3.424  -1.078                       
H                  4.591   3.081   1.322                       
H                  6.121   2.414   1.929                       
H                 -1.366   0.457   0.402                       
H                 -3.828  -2.541  -0.803                       
H                 -6.287  -1.348  -0.980                       

charges.txt