%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 0.354823 -0.144094 -0.538701 F -1.046276 1.519570 5.130322 F -3.855139 -0.848117 8.064631 O -2.618959 3.903605 -0.271764 O -5.126097 5.288380 2.950683 O -4.905204 5.437567 0.709104 N -0.058583 -1.492872 1.959545 N 0.697238 -5.678831 2.407451 N -1.542987 0.178135 2.529162 N -3.074441 1.787462 3.238800 C 1.479155 -3.268267 2.087210 C 0.602536 -3.294338 3.319918 C 0.347781 -4.251215 2.190247 C 1.174999 -1.996055 1.320521 C -0.242270 -2.037088 3.317562 C -0.687547 -0.320885 1.629225 C -0.496361 0.361822 0.391205 C -2.200151 1.313056 2.262516 C -1.166666 1.522966 0.126290 C -2.065038 2.050783 1.074447 C -2.814719 3.295715 0.794379 C -3.783308 2.942359 3.001989 C -3.727628 3.699016 1.866337 C -3.273726 1.079134 4.467390 C -2.242514 0.972331 5.405973 C -4.516329 0.522435 4.777913 C -4.663490 4.928853 1.830666 C -2.414282 0.319720 6.618141 C -4.729190 -0.125904 5.994367 C -3.669057 -0.216841 6.887948 H 1.542541 -5.790488 2.976981 H -0.058258 -6.179568 2.887162 H 0.869988 -6.159739 1.518407 H 2.502197 -3.628644 2.101867 H 0.961863 -3.675343 4.269835 H -0.534328 -4.159066 1.565989 H 1.014971 -2.172386 0.256986 H 2.008315 -1.290655 1.433328 H 0.114023 -1.335969 4.083226 H -1.302454 -2.222127 3.505695 H -1.022515 2.044543 -0.813210 H -4.427117 3.268948 3.809137 H -5.320459 0.597279 4.053942 H -1.601768 0.246117 7.330374 H -5.690057 -0.559383 6.244414 charges.dat