%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 -1.570594 0.072965 0.080534 O -1.756754 -0.738005 1.317355 O -1.643236 -0.689469 -1.198831 O 1.262938 -0.635881 0.257555 N -0.302039 1.106929 0.150580 N -6.064401 4.036461 -0.033721 C -2.930403 1.241098 0.043465 C -3.380486 1.758206 -1.174729 C -3.548993 1.635354 1.232779 C -5.057784 3.081788 -0.011559 C -4.431112 2.668023 -1.204819 C -4.600698 2.544635 1.208745 C 0.943218 0.567247 0.227062 C 2.046313 1.624529 0.277628 H -6.684015 4.040055 0.765509 H -6.568963 4.122766 -0.905900 H -2.915439 1.435395 -2.100261 H -3.212827 1.216488 2.175215 H -4.778151 3.064142 -2.155288 H -5.079612 2.844227 2.137017 H 2.640951 1.483156 1.186229 H 2.721272 1.481261 -0.572919 H 1.654127 2.642452 0.257525 charges.dat