%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 -1 1 Cl -0.734528 -3.461471 -1.979427 F 4.134131 -4.608330 -2.903646 F -1.780227 -0.673003 0.644715 F -4.136429 0.569124 -3.279126 O 1.008844 -5.959654 -6.512997 O 4.609466 -0.558914 -0.142847 O 1.707194 2.089474 1.660478 O 3.837726 1.379341 1.880095 N 1.439706 -5.028484 -3.413959 N 0.572536 -0.886945 -0.857425 N -0.690952 -0.313300 -2.776133 N -1.840888 0.194511 -4.747884 C 1.008446 -6.208531 -5.124874 C 2.285977 -5.834480 -4.336488 C 0.270398 -5.116414 -4.331099 C 1.853102 -3.935468 -2.683024 C 0.970266 -3.023557 -2.061118 C 1.429313 -1.870203 -1.376368 C 3.233108 -3.713687 -2.418969 C 2.810540 -1.724587 -1.128511 C 3.694893 -2.675509 -1.660357 C 3.378320 -0.649320 -0.269098 C 1.084446 0.070141 -0.004361 C 2.386167 0.213377 0.366217 C -0.686585 -0.552837 -1.463535 C -1.825966 -0.422287 -0.680458 C 2.682752 1.331640 1.392977 C -3.025550 -0.028962 -1.270606 C -1.829636 0.033903 -3.382847 C -3.014234 0.187828 -2.630438 H 1.424659 -6.713860 -6.953040 H -2.578295 0.774695 -5.123073 H -0.933294 0.350397 -5.165080 H 0.647121 -7.216915 -4.894603 H 2.959761 -5.229178 -4.950734 H 2.844448 -6.637017 -3.849880 H -0.670232 -5.398060 -3.858348 H 0.127539 -4.208927 -4.930419 H 4.754388 -2.567449 -1.461471 H 0.366707 0.782652 0.382722 H -3.930770 0.085785 -0.686491 charges.dat