%NProcShared=64 %Mem=54Gb #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 6.840 -0.128 -0.118 O 5.340 0.599 0.021 O 7.728 1.051 -0.027 O 6.933 -1.066 1.027 O 6.834 -0.797 -1.442 C -2.186 0.448 0.026 C -3.453 -0.416 0.012 C -0.888 -0.369 0.020 C -4.753 0.398 0.012 C 0.380 0.493 0.032 C -6.019 -0.467 -0.002 C 1.675 -0.328 0.017 C -7.319 0.346 -0.006 C 2.941 0.538 0.027 C -8.585 -0.520 -0.020 C 4.213 -0.298 -0.001 C -9.879 0.299 -0.026 H -2.201 1.099 0.911 H -2.196 1.119 -0.845 H -3.445 -1.085 0.885 H -3.436 -1.070 -0.871 H -0.874 -1.020 -0.866 H -0.878 -1.041 0.890 H -4.761 1.067 -0.861 H -4.771 1.053 0.895 H 0.371 1.140 0.920 H 0.369 1.168 -0.836 H -6.012 -1.134 0.872 H -5.999 -1.123 -0.884 H 1.683 -0.974 -0.873 H 1.687 -1.003 0.884 H -7.328 1.013 -0.881 H -7.340 1.002 0.876 H 2.952 1.172 0.923 H 2.940 1.212 -0.838 H -8.577 -1.186 0.854 H -8.564 -1.176 -0.901 H 4.263 -0.967 0.867 H 4.255 -0.912 -0.909 H -10.763 -0.347 -0.036 H -9.933 0.949 -0.907 H -9.946 0.940 0.861 charges.txt