%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 -3.031372 -6.579239 -2.163163 O 2.951267 -4.001492 -2.641483 O -9.192839 -7.469125 3.761970 O 1.361554 -5.383150 -3.440722 O 5.322425 0.053896 -1.805769 O -10.800932 -6.875192 6.787481 O -10.751916 -8.662698 5.516172 N -6.655285 -6.367085 1.390959 N -3.988988 -6.030714 0.384405 N 1.092777 -4.232105 -1.420755 N 4.124185 -1.404572 -3.081757 N -10.436968 -7.495050 5.776856 C -5.487687 -6.828511 2.150016 C -6.377631 -6.442231 -0.046858 C -4.262419 -5.979199 1.820719 C -5.160813 -5.590971 -0.394288 C -7.870680 -7.085187 1.755582 C -2.736608 -5.540310 -0.043140 C 3.112746 -3.062107 -1.548202 C 1.941689 -3.373022 -0.597314 C -0.172182 -4.685709 -0.980497 C -2.253773 -5.836108 -1.331794 C -1.861215 -4.798732 0.764382 C -8.415321 -6.598174 3.061653 C 3.083840 -1.637760 -2.100807 C -1.029455 -5.420617 -1.817910 C -0.604403 -4.386717 0.317732 C 1.738477 -4.619271 -2.573168 C -8.333342 -5.395617 3.722827 C -9.107127 -5.525116 4.904096 C -9.605040 -6.801087 4.871193 C 5.184748 -0.578941 -2.854594 C 6.190457 -0.478458 -3.986282 H 4.076099 -1.917597 -3.949807 H -5.699807 -6.743997 3.220022 H -5.264920 -7.889542 1.932950 H -6.196931 -7.482735 -0.373785 H -7.245950 -6.064118 -0.596225 H -3.399827 -6.376658 2.362724 H -4.437769 -4.946699 2.169905 H -5.387318 -4.531837 -0.185340 H -4.945095 -5.690679 -1.457367 H -8.624728 -6.906529 0.978191 H -7.736265 -8.180474 1.810410 H 4.082192 -3.269289 -1.091544 H 1.407735 -2.465662 -0.299100 H 2.273109 -3.894846 0.306138 H -2.159617 -4.528357 1.769938 H 3.245273 -0.932688 -1.282176 H 2.098757 -1.439728 -2.540235 H -0.736963 -5.693172 -2.821105 H 0.023376 -3.823278 0.996675 H -7.779326 -4.532496 3.388212 H -9.281292 -4.791741 5.675886 H 7.170514 -0.789975 -3.614494 H 5.931796 -1.084095 -4.857292 H 6.272978 0.568214 -4.291550 charges.dat