%NProcShared=16 %Mem=16Gb #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 F -1.566757 -3.157335 0.146654 O 3.293322 -2.379759 0.892489 O 5.867062 -1.142100 0.207818 O 5.751096 1.104735 0.383659 N -2.710816 -0.743630 -0.611977 N -4.772876 0.478017 0.931668 N 1.739756 1.250368 -0.291530 C -3.360050 0.518275 -0.995066 C -4.982178 -0.683296 -0.058345 C -4.756081 0.020164 -1.397458 C -3.745523 -1.579833 0.054281 C -3.680950 1.342512 0.268370 C 1.232348 2.539783 -0.721728 C -1.357255 -0.821784 -0.307636 C 0.380965 3.361988 0.216512 C 1.785715 3.797736 -0.110425 C -6.025505 1.228573 1.267197 C 0.884844 0.154266 -0.170381 C -0.495975 0.276647 -0.421148 C -0.768860 -2.056084 0.069586 C 1.437696 -1.085367 0.217108 C 3.084423 1.068331 -0.122997 C 0.568167 -2.184572 0.336162 C 2.885472 -1.279378 0.477673 C 3.707004 -0.101030 0.221366 C 5.247920 -0.052020 0.288590 H -4.409584 0.095951 1.808334 H -2.805653 1.068455 -1.752858 H -5.934477 -1.168984 0.142848 H -5.465284 0.819503 -1.617097 H -4.730101 -0.684855 -2.228555 H -3.912881 -2.523776 -0.469720 H -3.491109 -1.812519 1.093454 H -4.106811 2.320766 0.044713 H -2.849273 1.451834 0.962461 H 0.976618 2.572875 -1.778657 H -0.455533 3.906410 -0.209758 H 0.207799 2.958002 1.208657 H 2.529662 3.701708 0.673037 H 1.934275 4.643454 -0.773283 H -6.709026 0.551781 1.778149 H -5.762021 2.060646 1.918796 H -6.475632 1.600795 0.348592 H -0.889594 1.239649 -0.709228 H 3.698365 1.947224 -0.270487 H 0.980775 -3.145507 0.621318 charges.dat