%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 3.275165 -2.363250 -2.932337 O 2.221509 -1.949315 -3.903660 O 2.937242 -3.558600 -2.106835 O 3.558891 2.336011 1.100379 N 3.914014 -1.129617 -2.085709 N 1.849901 -0.772819 -0.919987 N 8.022219 -3.946141 -6.231128 N 1.698679 0.998836 0.697748 C 4.702103 -2.826395 -3.914018 C 4.871795 -2.301043 -5.197304 C 5.648752 -3.717987 -3.400818 C 3.160128 -0.455541 -1.182402 C 6.946369 -3.545479 -5.451316 C 5.980201 -2.654277 -5.959404 C 6.759246 -4.073590 -4.157444 C 3.759775 0.621002 -0.483828 C 2.981102 1.305517 0.437180 C 1.225665 -0.033804 -0.013211 C 2.758421 3.046221 2.053512 H 8.825547 -4.293094 -5.724112 H 8.287014 -3.311071 -6.972339 H 4.128565 -1.620982 -5.599329 H 5.510259 -4.139143 -2.410631 H 6.103995 -2.244867 -6.958312 H 7.490358 -4.768914 -3.753915 H 4.790389 0.899605 -0.665623 H 0.185835 -0.299502 0.183338 H 3.410057 3.822408 2.456226 H 1.884491 3.500259 1.579005 H 2.420242 2.387252 2.857647 charges.dat