%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 4.409 22.235 3.153 O 3.889 17.851 0.672 O 2.333 16.203 0.296 O 5.199 21.672 5.458 O 1.755 19.983 3.552 O 7.825 20.781 7.856 O 3.949 18.435 -2.145 H 4.796 18.661 -1.736 O 6.485 16.277 5.624 C 2.838 20.426 3.219 O 4.221 18.230 4.303 O 7.752 19.612 9.799 N 6.762 18.824 7.854 N 2.100 15.809 10.828 C 2.857 17.437 -0.168 H 2.051 18.186 -0.217 O 3.187 20.917 6.201 C 8.361 17.162 2.751 H 8.698 18.201 2.813 H 8.317 16.895 1.691 H 9.116 16.527 3.222 C 1.477 14.105 12.022 C 2.260 15.249 12.049 H 2.882 15.697 12.808 C 3.476 17.231 -1.558 H 4.287 16.503 -1.434 C 5.929 17.862 2.684 H 6.163 18.909 2.908 H 6.062 17.733 1.606 C 7.650 18.385 5.497 H 7.891 19.040 4.658 C 6.970 17.140 4.904 C 4.441 17.608 3.014 C 1.745 15.427 -1.938 H 0.903 15.109 -2.560 H 2.466 14.606 -1.890 C 3.904 21.363 5.330 C 6.725 19.217 6.442 H 5.706 19.146 6.054 N 2.979 16.574 -3.899 H 3.561 17.421 -3.972 C 7.460 19.703 8.620 C 0.692 14.479 0.179 H 1.461 13.704 0.250 H -0.157 14.079 -0.382 H 0.354 14.729 1.188 C 2.391 16.695 -2.493 H 1.635 17.480 -2.597 C 5.825 21.583 6.776 H 5.144 21.043 7.439 C 6.971 16.953 3.385 H 6.692 15.908 3.228 C 1.239 13.094 13.063 C 4.111 16.109 3.016 H 4.628 15.599 3.830 H 4.419 15.667 2.067 H 3.038 15.936 3.120 C 3.167 17.719 5.123 H 2.211 17.682 4.592 H 3.069 18.421 5.951 H 3.410 16.726 5.513 C 1.243 15.717 -0.509 H 0.463 16.492 -0.554 C 3.373 21.704 3.924 C 3.634 19.883 2.039 H 4.678 20.181 2.150 C 0.785 11.160 15.046 H 0.608 10.411 15.812 C 3.521 18.341 1.977 H 2.483 18.062 2.180 C 4.754 17.950 9.052 H 4.100 18.363 8.275 H 4.862 18.724 9.822 C 2.741 17.001 10.271 H 2.824 17.738 11.074 H 2.055 17.395 9.518 C 1.929 13.151 14.282 H 2.649 13.943 14.464 C 7.117 20.735 6.585 C 1.712 12.193 15.286 C 8.038 21.329 5.527 H 8.295 22.356 5.798 H 7.548 21.348 4.552 H 8.969 20.766 5.452 C 6.134 17.647 8.453 H 6.807 17.286 9.237 H 6.071 16.879 7.682 N 1.271 15.065 10.067 C 2.265 22.752 4.045 H 2.653 23.654 4.524 H 1.447 22.346 4.638 H 1.894 23.012 3.051 N 0.892 14.039 10.785 C 0.103 11.103 13.833 H -0.607 10.299 13.661 C 8.968 17.949 6.170 H 8.772 17.225 6.964 H 9.487 18.806 6.607 H 9.643 17.486 5.445 C 3.081 20.595 0.781 H 2.005 20.429 0.672 H 3.584 20.228 -0.115 H 3.256 21.671 0.854 C 0.317 12.057 12.839 H -0.217 12.009 11.897 C 4.758 23.734 7.669 H 4.115 23.887 6.797 H 4.988 24.721 8.082 H 4.184 23.181 8.420 N 2.355 12.299 16.519 H 2.448 11.426 17.024 H 3.233 12.803 16.500 C 3.883 15.392 -4.110 H 4.633 15.359 -3.324 H 4.370 15.513 -5.077 H 3.285 14.483 -4.106 C 4.112 16.697 9.657 H 3.990 15.926 8.887 H 4.767 16.276 10.430 C 1.928 16.649 -4.968 H 2.424 16.650 -5.938 H 1.360 17.569 -4.837 H 1.274 15.782 -4.884 C 6.052 23.001 7.301 H 6.695 22.921 8.182 H 6.605 23.581 6.554 charges.txt