%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 Cl -3.263 2.300 -3.845 Cl -2.548 -1.668 2.731 O -4.541 -5.686 -0.393 O -4.509 -3.892 -1.819 O -1.493 -2.866 -3.539 O -4.280 -5.827 3.224 O -4.213 -1.986 -3.966 O -2.510 -2.301 -1.588 O -3.235 -4.993 -5.756 O -1.010 -1.857 -6.175 O -1.750 -0.003 -2.895 O -1.143 -3.148 0.584 O 3.849 0.275 1.650 O 2.567 1.597 -2.666 O 0.376 3.869 -7.490 O 2.579 -4.062 5.357 O 1.644 -1.643 3.186 O 3.612 4.371 -4.327 O 2.345 -1.486 8.317 O 1.291 6.883 -3.811 O 6.299 1.415 7.027 O 2.530 4.412 0.735 O 7.357 0.058 3.604 O 3.846 -4.286 7.585 O 5.688 -3.883 8.779 O 9.418 -3.502 5.901 N -5.143 -3.338 2.945 H -4.269 -2.745 2.921 N 2.108 1.926 -0.465 N 1.748 0.893 2.286 N 1.605 4.110 -3.280 N 1.235 -0.978 5.346 N 0.488 5.488 -5.454 N 3.713 -1.914 6.545 N -0.543 8.440 -3.662 H -1.188 8.295 -2.883 N 4.594 5.228 0.401 C -5.205 -4.236 1.737 C -4.063 -5.247 1.955 C -4.958 -3.446 0.456 C -4.179 -4.325 -0.548 C -4.030 -6.268 0.794 C -3.526 -4.045 -2.822 C -4.031 -3.359 -4.105 C -6.567 -4.915 1.733 C -3.032 -3.700 -5.242 C -2.187 -3.371 -2.427 C -1.591 -3.667 -4.698 C -2.621 -6.829 0.599 C -0.597 -3.128 -5.727 C -1.410 -1.586 -1.150 C -1.023 -0.428 -1.814 C -0.672 -2.012 -0.040 C 0.060 0.298 -1.345 C 0.477 -1.334 0.353 C 0.856 -0.175 -0.316 C 2.174 0.534 -0.055 C 2.693 0.504 1.401 C -1.064 0.739 -3.817 C -0.655 -3.396 1.860 C 2.299 2.326 -1.735 C 1.805 0.694 3.724 C 2.050 3.839 -1.926 C -1.658 1.890 -4.332 C 0.214 0.398 -4.251 C -1.215 -2.773 2.969 C 0.400 -4.273 2.064 C 1.151 3.368 -6.411 C 1.639 4.625 -5.649 C 0.354 2.418 -5.544 C 1.317 -3.574 5.652 C 0.484 -3.649 4.391 C 1.306 -2.131 6.252 C -0.959 2.717 -5.196 C 0.920 1.232 -5.093 C -0.682 -2.908 4.235 C 0.963 -4.393 3.317 C 3.110 0.995 4.426 C 1.554 -0.798 4.052 C 3.299 4.634 -1.540 C 2.409 4.324 -4.341 C -0.799 7.473 -4.753 C 2.528 -1.860 7.178 C -2.139 6.740 -4.609 C 4.097 0.016 4.476 C 0.442 6.551 -4.664 C -2.842 6.444 -5.945 C 3.248 2.133 5.209 C 5.163 0.119 5.349 C 4.923 -2.131 7.300 C 6.195 -0.946 5.459 C 6.143 -1.952 6.435 C 3.426 4.731 -0.028 C 5.284 1.264 6.151 C 4.338 2.279 6.045 C -4.038 5.530 -5.689 C -3.311 7.727 -6.626 C 7.297 -0.872 4.596 C 7.232 -2.798 6.578 C 4.817 -3.621 7.972 C -0.498 9.858 -4.029 C 8.346 -2.685 5.755 C 8.371 -1.736 4.742 H -3.109 -4.696 1.967 H -5.893 -3.162 -0.024 H -4.367 -2.549 0.632 H -3.104 -4.225 -0.352 H -4.721 -7.088 1.021 H -3.356 -5.110 -3.035 H -5.017 -3.768 -4.351 H -6.668 -5.510 0.830 H -6.676 -5.567 2.596 H -7.362 -4.173 1.735 H -3.142 -2.932 -6.020 H -1.521 -4.090 -1.903 H -1.302 -4.702 -4.459 H -5.970 -2.739 3.011 H -5.093 -3.974 3.756 H -2.627 -7.538 -0.224 H -1.917 -6.033 0.368 H -2.284 -7.340 1.497 H -3.680 -6.569 3.352 H -0.559 -3.844 -6.558 H 0.391 -3.070 -5.253 H -3.401 -1.588 -3.617 H -4.089 -5.028 -6.201 H -0.370 -1.543 -6.823 H 0.308 1.214 -1.849 H 1.071 -1.707 1.175 H 2.932 0.040 -0.680 H 1.996 2.634 0.254 H 0.809 0.962 1.920 H 1.015 1.321 4.153 H 1.235 4.146 -1.258 H 0.660 -0.512 -3.885 H 0.820 -4.788 1.214 H 2.361 5.135 -6.303 H 2.044 2.850 -6.782 H 0.844 -4.201 6.430 H 0.423 -2.048 6.899 H -1.447 3.593 -5.590 H 1.928 0.972 -5.371 H -1.118 -2.371 5.062 H 1.848 -4.989 3.465 H 0.639 3.891 -3.470 H 4.188 4.174 -1.971 H 3.217 5.643 -1.951 H 1.275 -0.131 5.901 H -0.187 5.391 -6.203 H -0.768 8.009 -5.706 H -1.993 5.805 -4.064 H -2.821 7.358 -4.019 H 4.026 -0.855 3.844 H -2.147 5.928 -6.617 H 2.494 2.907 5.176 H 4.929 -1.451 8.159 H 3.711 -2.381 5.643 H 0.130 3.138 -8.066 H 3.084 -4.235 6.222 H 4.455 3.157 6.659 H 0.479 8.029 -3.369 H -4.525 5.276 -6.626 H -4.767 6.029 -5.054 H -3.735 4.607 -5.201 H -2.484 8.381 -6.894 H -3.843 7.484 -7.542 H -3.993 8.275 -5.979 H 7.213 -3.552 7.350 H 0.265 10.014 -4.788 H -0.244 10.456 -3.156 H -1.462 10.189 -4.415 H 4.768 5.281 1.393 H 5.349 5.432 -0.230 H 9.215 -1.663 4.079 H 6.850 0.617 7.023 H 6.486 0.461 3.482 H 9.257 -4.110 6.634 charges.txt