%NProcShared=64 %Mem=64Gb #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 0.957 -1.671 0.182 S -6.074 -2.498 1.398 O 0.761 2.755 -0.382 O 5.653 -1.670 0.535 O 3.790 2.842 0.814 O 4.699 2.028 -1.095 O -2.898 0.976 1.868 O 7.360 -2.099 -0.917 N 1.836 0.867 0.612 N -1.382 0.466 0.244 N -5.721 -1.096 -0.766 N 7.328 -2.989 1.197 N -7.514 -2.627 -0.932 C 0.956 -0.144 1.197 C -0.232 0.852 1.005 C 0.813 1.740 0.278 C 3.144 0.677 0.132 C 3.599 -0.588 -0.026 C 2.794 -1.845 0.253 C 4.999 -0.866 -0.494 C 3.958 1.981 -0.081 C -2.659 0.621 0.714 C -3.745 0.303 -0.283 C -3.857 0.948 -1.463 C -4.728 -0.717 0.131 C -3.008 2.055 -2.022 C 6.833 -2.229 0.179 C -4.756 -1.354 1.341 C -2.407 1.699 -3.394 C -6.497 -2.009 -0.256 H 1.212 -0.391 2.230 H -0.583 1.268 1.951 H 3.060 -2.271 1.226 H 3.031 -2.605 -0.497 H -1.256 0.146 -0.706 H 5.554 0.055 -0.659 H 4.998 -1.447 -1.423 H -4.699 0.653 -2.086 H -2.211 2.348 -1.332 H -3.653 2.937 -2.147 H -4.120 -1.198 2.198 H -3.190 1.421 -4.108 H -1.861 2.552 -3.808 H -1.712 0.857 -3.319 H 6.953 -2.865 2.125 H 8.295 -3.267 1.124 H -8.271 -3.009 -0.383 H -7.821 -2.130 -1.759 charges.txt