%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 O 0.327 -3.365 0.846 O -1.302 -1.564 -0.806 O 3.380 -1.424 1.334 O -3.216 -0.570 -1.740 O 3.444 0.957 -0.219 O -0.400 1.450 -0.617 O 5.098 1.003 -1.874 O -6.289 2.222 0.770 O 2.733 0.322 -2.866 O -2.367 0.509 2.481 O -1.991 2.455 1.395 C 1.759 -3.162 0.827 C -1.548 -2.988 -0.673 C -0.190 -3.697 -0.455 C 1.985 -1.649 1.066 C 2.198 -3.532 -0.612 C -1.884 -1.029 -1.994 C 0.926 -3.345 -1.446 C 1.231 -0.879 2.175 C -2.211 -3.421 -2.009 C -1.994 -2.227 -2.946 C 3.542 -0.109 1.900 C 2.120 0.386 2.258 C 2.438 -4.065 1.880 C -1.009 0.111 -2.547 C 4.303 0.790 0.916 C -3.252 0.574 -0.849 C -2.467 -3.237 0.526 C -2.640 1.786 -1.581 C -1.153 1.461 -1.829 C 4.718 2.160 1.480 C 1.069 -1.552 3.543 C -4.695 0.748 -0.338 C 5.319 2.997 0.338 C 1.984 -5.529 1.850 C 4.405 3.089 -0.897 C 3.980 1.672 -1.333 C -3.382 2.162 -2.871 C -4.877 1.995 0.580 C 5.702 2.055 2.653 C -5.213 -0.527 0.343 C 5.072 3.905 -2.011 C 2.835 1.662 -2.359 C -4.256 1.923 1.995 C -4.486 3.244 2.748 C -2.738 1.590 1.962 C -6.904 2.992 -0.246 H -0.389 -4.781 -0.480 H 1.723 -1.144 0.125 H 2.538 -4.571 -0.656 H 3.026 -2.899 -0.944 H 0.906 -3.975 -2.339 H 0.821 -2.303 -1.755 H 0.237 -0.608 1.813 H -3.278 -3.597 -1.852 H -1.782 -4.347 -2.401 H -2.803 -2.084 -3.667 H -1.057 -2.327 -3.502 H 4.162 -0.228 2.796 H 2.087 0.852 3.247 H 1.789 1.122 1.522 H 2.258 -3.668 2.880 H 3.519 -3.999 1.720 H -1.300 0.251 -3.595 H 0.041 -0.193 -2.545 H 5.208 0.249 0.600 H -2.615 0.327 0.000 H -2.623 -4.312 0.669 H -3.437 -2.767 0.356 H -2.030 -2.830 1.439 H -2.655 2.643 -0.902 H -0.734 2.235 -2.494 H 3.806 2.666 1.829 H 2.032 -1.801 4.001 H 0.552 -0.866 4.223 H 0.472 -2.465 3.476 H -5.327 0.933 -1.217 H 6.280 2.556 0.039 H 5.538 4.009 0.699 H 2.209 -6.020 0.898 H 2.490 -6.099 2.636 H 0.906 -5.604 2.017 H 3.478 3.596 -0.593 H -3.510 1.299 -3.530 H -4.378 2.562 -2.654 H -2.835 2.934 -3.423 H -4.457 2.877 0.077 H 5.255 1.583 3.533 H 6.044 3.051 2.953 H 6.588 1.472 2.373 H -5.254 -1.353 -0.371 H -6.218 -0.362 0.741 H -4.557 -0.822 1.168 H -0.933 1.839 0.122 H 5.360 4.892 -1.632 H 4.409 4.065 -2.867 H 5.973 3.402 -2.373 H 3.059 2.361 -3.169 H 1.903 1.958 -1.866 H -4.754 1.115 2.540 H 4.714 0.258 -2.370 H -4.110 3.176 3.775 H -5.550 3.492 2.787 H -3.953 4.059 2.250 H 2.466 0.369 -3.792 H -7.955 3.111 0.032 H -6.861 2.507 -1.232 H -6.447 3.989 -0.333 charges.txt