%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 0.647 -2.203 -0.146 O 2.638 1.520 -0.256 O 2.902 -0.640 0.336 N -3.583 0.098 0.010 C 0.677 0.206 0.002 C -0.032 -1.016 -0.050 C -2.186 0.140 0.048 C -1.434 -1.040 -0.030 C -0.108 1.368 0.060 C -1.497 1.365 0.091 C 2.207 0.363 0.023 H -0.006 -2.914 -0.212 H -4.034 0.901 0.431 H -3.988 -0.763 0.357 H -1.949 -1.999 -0.079 H 0.436 2.307 0.081 H -2.054 2.297 0.147 charges.txt