%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 -2 1 S 1.902609 3.930140 2.961654 S 4.851997 -1.242812 -3.404161 O 4.440195 5.447132 -0.437690 O 3.812352 8.424298 0.744629 O 5.329188 8.070101 2.389999 O 1.066906 2.246028 -1.532034 O 1.314616 0.275228 1.149574 O -0.732443 0.879573 2.772145 O -0.333463 -0.921456 4.092912 N 2.856849 5.851164 1.299970 N 2.602101 2.861327 0.048618 N 2.204296 -0.283124 0.241871 N 3.959143 1.068958 -2.608360 N 5.348969 1.215411 -4.514915 C 1.753556 4.899720 1.418778 C 2.239452 4.248147 0.082298 C 3.411936 5.263181 0.175816 C 3.354911 6.707111 2.291020 C 1.996632 5.432748 4.028412 C 2.942912 6.535777 3.580916 C 4.267437 7.844302 1.759111 C 1.984750 1.963934 -0.769137 C 3.370317 7.478827 4.617292 C 2.534766 0.546875 -0.687123 C 2.972257 7.497249 5.901114 C 3.416260 0.101278 -1.774578 C 3.773015 -1.192059 -2.037841 C 4.731001 0.525390 -3.509287 C 1.052193 -0.650533 2.222747 C -0.124885 -0.164232 3.109787 H 3.338591 2.531065 0.657528 H 6.183715 0.811016 -4.915732 H 5.412499 2.213042 -4.356534 H 0.771851 5.378057 1.379473 H 1.552412 4.434031 -0.745065 H 0.980899 5.819934 4.166164 H 2.321468 5.047495 4.998467 H 4.083867 8.222382 4.276786 H 2.264363 6.788726 6.320390 H 3.354804 8.249685 6.583709 H 3.472667 -2.091896 -1.523603 H 0.808174 -1.631156 1.798328 H 1.953384 -0.764940 2.837400 charges.dat