%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 -4.581744 -1.885874 -1.914435 S -2.893300 -1.485609 1.947068 O -5.566345 -3.000007 -1.835441 O -3.446485 -2.109788 -2.851382 N -4.112752 -1.334556 -0.451358 N -2.953166 -3.375875 0.167422 N -7.570076 2.879309 -3.958835 N -2.233237 -3.864092 1.233284 C -5.470703 -0.455065 -2.514694 C -4.811788 0.509330 -3.282039 C -6.828153 -0.299344 -2.219055 C -6.867688 1.798947 -3.449130 C -5.500100 1.624831 -3.744583 C -7.520370 0.814399 -2.678685 C -3.389253 -2.137892 0.346383 C -2.102027 -3.039336 2.227937 C -1.360164 -3.359974 3.486639 H -7.017706 3.689913 -4.204146 H -8.418057 3.127646 -3.467251 H -3.761904 0.379586 -3.521549 H -7.342341 -1.055252 -1.635169 H -4.984245 2.369791 -4.344108 H -8.575994 0.929226 -2.448774 H -0.967235 -4.376544 3.412943 H -0.523621 -2.671786 3.648221 H -2.011156 -3.298773 4.365266 charges.dat