%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 -1.092 -2.824 -0.752 O -0.173 -1.923 1.765 O 1.953 -1.108 2.052 O -1.758 -2.425 -2.899 O 1.485 -2.014 -0.752 O -3.400 -1.097 -0.056 O -3.832 0.527 -2.237 O 3.614 1.750 1.745 O 4.797 -0.866 1.223 O -2.175 3.853 -0.378 O 1.510 -0.660 5.287 O 4.187 2.254 -2.345 O -5.464 0.608 -3.810 O 4.353 0.121 -2.845 O 4.815 -2.781 0.013 N 1.181 -5.395 0.787 H 1.330 -5.181 1.777 C 0.685 -4.135 0.065 C -0.808 -3.758 0.296 C 1.580 -2.892 0.354 C -1.083 -3.028 1.624 C 1.204 -2.247 1.714 C 1.709 0.132 1.342 C -4.015 -1.675 -1.214 C -2.025 -3.218 -1.784 C 0.829 1.139 2.150 C -3.484 -3.113 -1.335 C -3.591 -0.885 -2.473 C -2.091 -1.025 -2.766 C 3.036 0.790 0.864 C -0.679 1.089 1.764 C -1.135 -3.905 2.878 C -1.389 2.435 1.465 C 1.052 1.071 3.682 C 4.065 -0.146 0.200 C -5.539 -1.689 -1.040 C 2.514 -5.853 0.235 C 0.210 -6.548 0.730 C -1.657 -0.361 -4.062 C -1.079 3.040 0.057 C 5.088 0.652 -0.639 C -1.263 3.467 2.595 C 0.825 -0.256 4.363 C -4.747 1.178 -3.012 C 0.244 3.766 -0.062 C 4.372 1.318 2.882 C 4.522 0.993 -2.013 C -4.732 2.670 -2.760 C 5.125 -2.157 1.013 C -5.932 3.210 -1.934 C 0.391 5.067 -0.350 C 4.229 3.412 -1.450 C 5.895 -2.712 2.181 C -7.288 2.949 -2.604 C -5.904 2.706 -0.484 C 3.061 4.292 -1.933 C 1.653 5.820 -0.445 C 2.795 5.503 -1.082 C 5.595 4.076 -1.559 H 0.801 -4.379 -0.993 H -1.464 -4.628 0.212 H 2.630 -3.175 0.413 H -2.055 -2.547 1.497 H 1.460 -2.962 2.510 H 1.186 -0.114 0.420 H -1.795 -4.247 -2.086 H 1.209 2.125 1.874 H -3.635 -3.630 -0.382 H -4.080 -3.646 -2.082 H -4.179 -1.207 -3.336 H -1.538 -0.601 -1.920 H 2.685 1.420 0.037 H -1.242 0.607 2.571 H -0.823 0.436 0.898 H -1.400 -3.282 3.735 H -1.906 -4.673 2.773 H -0.193 -4.401 3.128 H -2.452 2.174 1.384 H 0.337 1.764 4.146 H 2.045 1.422 3.965 H 3.549 -0.862 -0.440 H -6.037 -2.137 -1.905 H -5.926 -0.674 -0.915 H -5.801 -2.263 -0.147 H 0.542 -1.961 -0.999 H 2.854 -6.693 0.838 H 2.358 -6.165 -0.797 H 3.241 -5.046 0.281 H -0.039 -6.740 -0.314 H 0.699 -7.417 1.165 H -0.682 -6.311 1.304 H -2.200 -0.783 -4.914 H -0.587 -0.518 -4.221 H -1.844 0.714 -4.022 H -3.660 -0.164 -0.033 H -1.070 2.202 -0.653 H 5.440 1.517 -0.077 H 5.943 0.002 -0.838 H -0.228 3.782 2.759 H -1.649 3.058 3.534 H -1.843 4.373 2.384 H -0.052 -0.837 4.021 H 1.129 3.163 0.117 H 4.367 2.159 3.581 H 3.933 0.442 3.366 H 5.405 1.086 2.611 H -3.802 2.944 -2.257 H -4.747 3.141 -3.749 H -2.330 4.537 0.288 H -5.778 4.296 -1.906 H -0.509 5.665 -0.489 H 4.044 3.087 -0.422 H 6.237 -3.720 1.950 H 6.748 -2.069 2.412 H 5.250 -2.735 3.064 H -7.313 3.353 -3.622 H -8.091 3.426 -2.032 H -7.506 1.879 -2.664 H -6.674 3.207 0.112 H -6.101 1.629 -0.428 H -4.932 2.901 -0.020 H 2.166 3.669 -1.999 H 3.305 4.619 -2.953 H 1.618 6.801 0.029 H 3.598 6.237 -1.039 H 5.788 4.383 -2.592 H 6.393 3.397 -1.246 H 5.639 4.962 -0.919 charges.txt