%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 -2 1 S 4.718 0.934 -0.036 O 4.980 1.913 -1.121 O 5.186 1.346 1.314 O -2.045 1.131 -1.764 O 4.645 -1.712 1.316 O -4.078 -3.105 0.249 O -2.432 -1.944 -0.779 N -1.265 0.515 0.312 N 5.339 -0.484 -0.561 C 2.923 0.792 0.057 C 0.125 0.610 0.169 C 2.145 1.207 -1.025 C 2.303 0.280 1.202 C 0.755 1.122 -0.980 C 0.918 0.192 1.255 C -3.655 0.521 -0.096 C -2.252 0.693 -0.634 C -4.246 -0.729 0.158 C -4.381 1.701 0.126 C -5.554 -0.760 0.657 C -5.685 1.650 0.620 C 5.217 -1.594 0.217 C -6.273 0.411 0.889 C -3.519 -2.050 -0.146 C 5.864 -2.827 -0.413 H 2.632 1.616 -1.904 H 2.909 -0.061 2.031 H 0.152 1.447 -1.815 H 0.438 -0.202 2.147 H -1.579 0.086 1.172 H -3.918 2.661 -0.083 H -5.989 -1.736 0.847 H -6.235 2.570 0.792 H -7.289 0.362 1.273 H 6.441 -2.585 -1.307 H 6.512 -3.313 0.323 H 5.082 -3.546 -0.679 charges.txt