%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 S -0.294109 1.777519 0.464271 O -0.928426 2.650877 1.487076 O 0.177753 2.487183 -0.756097 N 0.852246 0.955645 1.259830 N 2.577736 -0.535839 1.441276 N 1.446353 -0.311767 -0.671662 N -4.691312 -1.930655 -1.248114 C -1.595589 0.654373 -0.063393 C -2.540720 0.211446 0.868958 C -1.674683 0.211909 -1.386598 C -3.644275 -1.111340 -0.847448 C -3.551897 -0.661669 0.485488 C -2.688081 -0.656831 -1.777187 C 1.627709 0.025846 0.637150 C 3.374396 -1.467728 0.911788 C 3.254403 -1.873620 -0.424675 C 2.257133 -1.248258 -1.165192 C 4.414801 -2.066474 1.826196 H -5.119860 -2.481748 -0.516300 H -4.524169 -2.475801 -2.083425 H -2.490686 0.562532 1.894312 H -0.937812 0.552690 -2.103104 H -4.284915 -0.996688 1.214486 H -2.747753 -0.990622 -2.809806 H 3.898930 -2.630078 -0.856690 H 2.101170 -1.513405 -2.211719 H 5.083854 -1.286351 2.204410 H 3.936611 -2.527390 2.696828 H 5.014810 -2.823213 1.315510 charges.dat