%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 0.635 -1.601 0.267 O 4.048 -0.459 0.840 O -1.215 -0.727 -0.667 O 5.190 1.457 1.531 O 0.210 1.688 -1.327 O 6.590 -1.376 -0.014 O -3.344 -0.500 -3.636 O 8.448 0.740 -0.085 O -4.844 0.207 -1.541 O -1.279 -2.709 2.404 O -4.152 -3.720 -4.339 O -3.570 3.307 0.026 O -5.485 3.462 -1.181 N 2.641 2.147 0.341 H 3.583 1.987 0.761 C 2.159 0.769 -0.132 C 2.624 -0.342 0.835 C 0.635 0.734 -0.367 C 2.059 -1.701 0.366 C 0.168 -0.693 -0.726 C -1.983 -1.316 -1.746 C -2.939 -2.348 -1.104 C 4.786 0.148 1.907 C 7.062 -0.776 1.202 C 5.960 -0.755 2.273 C 7.473 0.693 0.953 C -2.604 -0.101 -2.485 C -2.141 -3.479 -0.400 C 6.263 1.548 0.538 C 2.367 -2.837 1.326 C -2.759 -4.033 0.906 C -3.995 -2.941 -2.066 C -3.531 0.755 -1.594 C 8.260 -1.608 1.654 C 1.797 2.781 1.412 C 2.851 3.118 -0.793 C 6.602 3.023 0.408 C -2.630 -3.072 2.131 C -2.120 -5.387 1.251 C -3.576 2.230 -2.057 C -3.472 -3.554 -3.343 C -3.560 -1.884 2.067 C -2.653 -0.367 -4.876 C -4.340 3.071 -1.055 C -3.240 -0.617 2.378 C -4.149 3.989 1.178 C -4.149 0.506 2.200 C -4.761 2.943 2.134 C -3.845 1.792 2.445 C -3.030 4.823 1.786 H 2.681 0.606 -1.080 H 2.262 -0.150 1.853 H 0.106 0.986 0.555 H 2.481 -1.922 -0.626 H 0.545 -0.994 -1.718 H -1.296 -1.820 -2.439 H -3.499 -1.794 -0.348 H 4.127 0.288 2.768 H 6.376 -0.383 3.215 H 5.586 -1.766 2.455 H 7.881 1.094 1.891 H -1.755 0.525 -2.784 H -1.123 -3.149 -0.182 H -2.027 -4.320 -1.095 H 5.895 1.153 -0.416 H 1.913 -2.647 2.303 H 1.962 -3.771 0.931 H 3.445 -2.949 1.449 H -3.835 -4.196 0.752 H -4.513 -3.751 -1.531 H -4.759 -2.211 -2.332 H -3.147 0.731 -0.572 H 9.019 -1.614 0.870 H 8.705 -1.198 2.566 H 7.946 -2.638 1.850 H 0.579 1.459 -2.194 H 2.350 3.632 1.808 H 1.609 2.066 2.211 H 0.860 3.119 0.973 H 3.310 4.018 -0.385 H 1.886 3.347 -1.235 H 3.510 2.662 -1.531 H 5.740 3.606 0.077 H 7.395 3.151 -0.333 H 6.945 3.426 1.367 H -2.932 -3.671 3.004 H 5.637 -1.215 -0.088 H -1.051 -5.268 1.453 H -2.581 -5.827 2.143 H -2.234 -6.099 0.428 H -2.554 2.614 -2.130 H -4.063 2.307 -3.033 H 9.086 1.431 0.132 H -2.413 -3.889 -3.338 H -5.101 0.058 -2.465 H -4.577 -2.107 1.742 H -2.404 0.681 -5.084 H -1.731 -0.962 -4.893 H -3.325 -0.739 -5.651 H -0.938 -2.183 1.661 H -2.232 -0.396 2.726 H -4.948 4.640 0.812 H -5.131 0.270 1.788 H -5.687 2.562 1.690 H -5.044 3.480 3.050 H -2.865 2.031 2.859 H -2.196 4.197 2.116 H -2.650 5.542 1.055 H -3.407 5.378 2.650 charges.txt