%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 3.689 3.330 0.292 F -4.196 -2.132 -0.872 O -0.717 0.477 -2.180 O -2.849 0.120 -0.501 O 8.496 2.091 0.371 O 10.879 0.474 -0.011 O 10.470 -1.723 -0.304 O -10.544 0.364 0.569 O -12.832 -1.393 0.431 O -9.083 2.069 0.386 N 6.451 -1.401 -0.431 N 2.204 1.059 -0.296 N -8.382 -0.164 0.350 C 5.767 -2.637 -0.763 C 6.232 -3.931 -0.152 C 4.918 -3.329 0.276 C -0.677 1.019 -0.853 C 0.006 0.031 0.113 C 0.157 2.304 -0.929 C 5.734 -0.212 -0.274 C 1.471 -0.210 -0.258 C 1.620 2.010 -1.265 C 3.604 1.000 -0.238 C 7.814 -1.367 -0.386 C -2.107 1.343 -0.413 C 4.331 -0.183 -0.404 C 6.454 0.970 -0.005 C 8.594 -0.268 -0.137 C 4.356 2.165 0.068 C 7.936 1.013 0.102 C 5.722 2.161 0.166 C 10.119 -0.516 -0.147 C -4.194 0.154 -0.276 C -4.891 -1.044 -0.472 C -4.933 1.265 0.137 C -6.990 -0.030 0.136 C -9.066 -1.454 0.284 C -10.493 -1.078 0.713 C -6.255 -1.155 -0.277 C -6.312 1.178 0.346 C -9.290 0.872 0.428 C -11.572 -1.727 -0.128 H 5.416 -2.673 -1.792 H 7.050 -3.896 0.559 H 6.226 -4.808 -0.791 H 3.992 -3.787 -0.055 H 4.880 -2.877 1.262 H -0.532 -0.922 0.107 H -0.047 0.432 1.132 H 0.104 2.824 0.034 H -0.263 2.966 -1.694 H 1.930 -0.855 0.495 H 1.521 -0.736 -1.226 H 1.687 1.595 -2.283 H 2.191 2.936 -1.244 H 8.318 -2.310 -0.557 H -2.543 2.091 -1.086 H -2.129 1.729 0.614 H 3.807 -1.094 -0.652 H 6.261 3.072 0.400 H -1.348 -0.259 -2.152 H -4.441 2.214 0.310 H -8.614 -2.180 0.963 H -9.039 -1.860 -0.735 H -10.667 -1.303 1.770 H -6.716 -2.118 -0.459 H -6.859 2.053 0.664 H -11.396 -2.814 -0.124 H -11.475 -1.375 -1.165 H -13.516 -1.787 -0.127 charges.txt