%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 0.370 -1.652 0.692 O 0.983 -2.283 1.891 O -0.162 -2.608 -0.317 O -2.518 1.009 2.414 N -0.721 -0.605 1.271 N -1.344 0.218 -0.896 N 4.859 1.371 -1.900 N -3.194 1.886 0.384 C 1.706 -0.749 -0.103 C 2.725 -0.200 0.683 C 1.732 -0.568 -1.489 C -1.456 0.184 0.441 C 3.797 0.706 -1.303 C 3.758 0.519 0.094 C 2.766 0.147 -2.084 C -2.429 1.067 1.062 C -2.137 1.071 -1.584 C -3.051 1.894 -0.970 C -3.478 1.871 3.033 H 2.713 -0.349 1.758 H 0.937 -0.986 -2.094 H 4.549 0.937 0.711 H 2.784 0.278 -3.162 H 5.358 2.021 -1.307 H 4.673 1.761 -2.815 H -2.021 1.078 -2.667 H -3.687 2.574 -1.531 H -4.491 1.651 2.686 H -3.259 2.923 2.823 H -3.397 1.678 4.103 charges.txt