%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 -1.555699 0.007114 -0.032432 O -1.733145 -1.137281 0.904748 O -1.131700 -0.358872 -1.413505 O 1.255959 -0.035674 0.713108 N -0.697138 1.246322 0.600172 N -6.910531 2.648579 -0.525167 C -3.162541 0.784990 -0.186895 C -3.419803 1.658942 -1.248454 C -4.167595 0.512105 0.743358 C 0.610992 1.018595 0.881817 C 1.319417 2.223102 1.469341 C -5.687110 2.001135 -0.436368 C -4.665044 2.261947 -1.373145 C -5.417140 1.111448 0.622016 C 0.667229 3.440278 1.714661 C 2.681275 2.110313 1.781156 C 1.363110 4.519030 2.261402 C 3.379265 3.187336 2.326745 C 2.721005 4.396078 2.569233 H -7.164351 2.986409 -1.443866 H -7.684099 2.192940 -0.059714 H -2.647551 1.858751 -1.984049 H -3.969323 -0.179164 1.555119 H -4.859287 2.938868 -2.200657 H -6.195957 0.892500 1.347392 H -0.385942 3.528743 1.473145 H 3.174323 1.163993 1.586573 H 0.846523 5.456410 2.447961 H 4.434736 3.085604 2.563364 H 3.262022 5.236370 2.995009 charges.dat