%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 -2.760 -3.435 0.572 O -1.407 -0.424 0.885 O 0.946 -0.447 0.935 O -3.877 -1.734 -0.502 O 0.925 -1.777 -1.606 O -6.609 -2.779 -0.610 O -6.320 -1.725 -3.197 O 3.261 -0.551 2.284 O 4.847 -0.946 0.131 O -0.338 6.003 1.368 O 2.014 -0.303 5.225 O 5.527 2.804 -1.539 O -7.120 -4.624 0.619 O -5.512 -2.458 -5.191 O 5.767 1.828 0.496 O 3.658 -2.860 -0.154 O 1.329 6.236 2.899 N 0.972 -3.517 0.404 H 1.682 -2.945 -0.086 C -0.404 -2.987 -0.059 C -1.502 -2.925 1.038 C -0.231 -1.653 -0.800 C -1.567 -1.557 1.762 C -0.213 -0.431 0.132 C -5.735 -3.467 -1.568 C 1.652 0.803 1.111 C -3.371 -3.053 -0.634 C -4.499 -4.072 -0.866 C 1.029 1.690 2.230 C -5.231 -2.332 -2.473 C -4.551 -1.208 -1.663 C 3.139 0.435 1.267 C 1.132 3.209 1.914 C -2.847 -1.346 2.552 C 0.366 3.707 0.668 C -6.532 -4.510 -2.352 C 1.572 1.466 3.657 C 3.690 -0.103 -0.091 C 1.329 -3.412 1.861 C 1.188 -4.923 -0.082 C -3.614 -0.355 -2.514 C 0.450 5.229 0.396 C 4.115 0.984 -1.078 C -1.124 3.312 0.702 C 1.397 0.091 4.254 C -7.223 -3.432 0.397 C -6.348 -1.852 -4.552 C 1.752 5.914 0.081 C 4.441 -0.438 3.085 C 5.231 1.898 -0.594 C -7.552 -1.138 -5.123 C 4.707 -2.282 0.080 C -8.050 -2.472 1.218 C 2.982 5.411 -0.119 C 0.195 6.456 2.522 C 6.029 -2.972 0.335 C 6.573 3.806 -1.284 C -7.639 -1.229 -6.645 C 4.061 6.259 -0.620 C 6.126 4.792 -0.177 C 5.379 5.996 -0.687 C -0.820 7.282 3.277 C 5.960 -4.491 0.205 C 7.936 3.160 -1.050 H -0.724 -3.729 -0.791 H -1.257 -3.654 1.814 H -1.127 -1.528 -1.416 H -0.721 -1.555 2.459 H -0.244 0.482 -0.473 H 1.560 1.358 0.169 H -2.649 -3.084 -1.465 H -4.802 -4.488 0.095 H -4.114 -4.898 -1.472 H -0.032 1.420 2.251 H -4.541 -2.768 -3.200 H -5.349 -0.580 -1.258 H 3.694 1.335 1.550 H 0.749 3.744 2.788 H 2.188 3.491 1.841 H -2.987 -2.160 3.269 H -2.780 -0.406 3.106 H -3.707 -1.312 1.883 H 0.813 3.262 -0.233 H -7.458 -4.071 -2.729 H -6.779 -5.359 -1.715 H -5.943 -4.864 -3.202 H 1.016 2.138 4.327 H 2.622 1.763 3.757 H 2.918 -0.717 -0.556 H 0.949 -1.060 -2.255 H 0.674 -4.048 2.452 H 2.357 -3.756 1.953 H 1.280 -2.370 2.160 H 1.072 -4.939 -1.164 H 0.459 -5.581 0.391 H 2.201 -5.221 0.185 H -3.166 0.431 -1.901 H -2.814 -0.954 -2.961 H -4.170 0.122 -3.327 H -0.163 5.382 -0.502 H 3.256 1.609 -1.347 H 4.440 0.517 -2.013 H -1.611 3.719 1.594 H -1.650 3.706 -0.174 H -1.268 2.231 0.709 H 0.606 -0.538 3.798 H 1.609 6.978 -0.112 H 4.486 -1.338 3.701 H 4.390 0.438 3.745 H 5.338 -0.366 2.465 H -8.442 -1.563 -4.645 H -7.507 -0.096 -4.786 H -8.572 -3.017 2.003 H -7.401 -1.712 1.663 H -8.770 -1.954 0.579 H 3.190 4.360 0.061 H 6.762 -2.542 -0.357 H 6.362 -2.674 1.336 H 6.601 4.332 -2.242 H -8.526 -0.700 -7.002 H -6.760 -0.783 -7.118 H -7.706 -2.269 -6.975 H 3.735 7.230 -0.994 H 5.558 4.248 0.579 H 7.033 5.149 0.326 H 6.008 6.761 -1.142 H -1.717 6.687 3.473 H -1.124 8.142 2.674 H -0.389 7.622 4.217 H 6.943 -4.928 0.397 H 5.644 -4.788 -0.798 H 5.252 -4.917 0.921 H 8.001 2.693 -0.067 H 8.707 3.933 -1.125 H 8.136 2.407 -1.817 charges.txt