%NProcShared=64 %Mem=64Gb #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 0 1 S -0.000000 1.574504 0.000000 O 0.000003 2.323335 1.277895 O -0.000003 2.323336 -1.277894 N 4.747960 -2.037468 -0.000006 N -4.747960 -2.037468 0.000006 C 1.435723 0.518311 -0.000002 C -1.435722 0.518311 0.000002 C 1.994077 0.098446 -1.213570 C -1.994076 0.098446 1.213570 C 1.994108 0.098484 1.213563 C -1.994108 0.098485 -1.213563 C 3.104251 -0.733193 -1.214365 C -3.104250 -0.733194 1.214364 C 3.104283 -0.733156 1.214355 C -3.104283 -0.733155 -1.214355 C 3.679530 -1.168702 -0.000005 C -3.679530 -1.168702 0.000005 H 1.569792 0.438612 -2.151852 H -1.569791 0.438611 2.151852 H 1.569848 0.438679 2.151846 H -1.569848 0.438680 -2.151846 H 3.540811 -1.050847 -2.156684 H -3.540810 -1.050848 2.156684 H 3.540867 -1.050780 2.156673 H -3.540868 -1.050779 -2.156674 H 5.299923 -2.088637 -0.844599 H 5.299947 -2.088609 0.844572 H -5.299923 -2.088638 0.844598 H -5.299947 -2.088609 -0.844573 charges.txt