%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 -4.404404 0.598891 -0.498022 S 2.361927 1.176113 -0.699360 O 2.290025 2.570191 -0.176198 O 2.341459 1.055051 -2.184722 N 1.363709 0.137076 0.059034 N 7.609389 -1.065533 1.126163 N -0.563689 1.219564 -0.840312 N -1.902458 1.285069 -0.937165 C 3.941265 0.520836 -0.164257 C 4.549290 1.011601 0.994308 C 4.574950 -0.478382 -0.908381 C 6.418947 -0.512407 0.677936 C 5.773479 0.502572 1.413059 C 5.799084 -0.990692 -0.494572 C 0.019642 0.253590 -0.078761 C -0.792103 -0.697431 0.620945 C -2.153608 -0.618596 0.512960 C -2.652087 0.419076 -0.299536 H 8.175939 -1.519893 0.422486 H 8.161523 -0.483773 1.742048 H 4.067567 1.802644 1.559061 H 4.113760 -0.843976 -1.819605 H 6.242147 0.890604 2.313319 H 6.288345 -1.764636 -1.079733 H -0.309918 -1.460178 1.222376 H -2.819052 -1.308732 1.018531 charges.dat