%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 -1 1 F 1.693 -2.908 0.204 O 6.862 0.624 -0.183 O -3.246 -2.517 0.181 O -5.829 -1.302 -0.441 O -5.848 0.923 -0.068 N 2.783 -0.309 -0.088 N -1.821 1.335 -0.127 C 0.492 0.527 -0.097 C -1.375 2.751 -0.112 C 1.013 1.936 -0.253 C -0.044 2.860 -0.861 C -0.906 0.284 -0.055 C 1.385 -0.556 -0.031 C 3.422 0.030 1.193 C 3.610 -1.194 -0.919 C 4.769 0.720 0.956 C 4.941 -0.500 -1.231 C 5.672 -0.128 0.064 C -1.416 -1.032 0.027 C 0.841 -1.854 0.086 C -1.327 3.292 1.322 C -3.153 1.068 -0.145 C -0.509 -2.100 0.099 C -2.874 -1.336 0.045 C -3.738 -0.173 -0.093 C -5.276 -0.199 -0.203 H -2.136 3.306 -0.668 H 1.332 2.331 0.721 H 1.916 1.909 -0.869 H 0.296 3.899 -0.838 H -0.209 2.594 -1.911 H 3.570 -0.876 1.808 H 2.757 0.691 1.754 H 3.068 -1.408 -1.844 H 3.811 -2.158 -0.426 H 4.604 1.687 0.466 H 5.262 0.911 1.915 H 5.565 -1.166 -1.840 H 4.760 0.414 -1.809 H 5.922 -1.059 0.602 H -1.027 4.345 1.314 H -2.312 3.221 1.793 H -0.616 2.737 1.941 H -3.809 1.929 -0.208 H -0.895 -3.108 0.189 H 7.447 0.073 -0.721 charges.txt