%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 0 1 O -3.375 -1.326 0.785 O -1.324 -2.684 -0.262 H -0.409 -3.145 -0.266 O -2.660 -0.955 -2.083 O 1.095 -3.147 -0.077 O -3.577 3.383 -0.355 O 3.489 -3.745 0.900 O -4.749 2.561 -2.765 O 5.582 1.894 -1.195 N -4.487 0.991 1.666 H -4.519 0.043 1.247 N -3.572 0.900 -3.763 N 4.496 2.464 -0.419 C -2.022 0.604 1.206 C -2.285 -0.551 0.233 C -0.685 1.292 0.866 C 0.491 0.330 1.059 C -3.173 1.611 1.155 C 0.204 -1.036 0.482 C -1.060 -1.449 0.142 C 1.794 0.863 0.453 C -2.760 -0.084 -1.189 C -3.375 2.165 -0.274 C 2.943 -0.101 0.678 C 1.306 -1.971 0.332 C -3.337 1.216 -1.357 C 2.677 -1.498 0.646 C 4.249 0.370 0.897 C -5.710 1.754 1.244 C -4.479 0.811 3.155 C 3.738 -2.411 0.881 C -3.945 1.624 -2.662 C 5.271 -0.563 1.111 C 4.597 1.843 0.911 C 5.028 -1.928 1.117 C 4.757 3.903 -0.359 C 5.070 1.422 -2.434 H -1.932 0.176 2.212 H -0.551 2.172 1.504 H -0.706 1.647 -0.171 H 0.657 0.216 2.142 H -2.983 2.466 1.806 H 2.028 1.840 0.881 H 1.654 1.025 -0.624 H -3.521 -2.074 0.184 H -6.579 1.258 1.672 H -5.777 1.755 0.158 H -5.631 2.775 1.615 H -5.397 0.299 3.445 H -4.431 1.793 3.625 H -3.621 0.209 3.447 H 6.283 -0.206 1.283 H 3.917 2.402 1.563 H 5.611 1.973 1.321 H 5.838 -2.630 1.299 H -3.165 -0.015 -3.584 H -4.150 1.034 -4.581 H 4.309 -4.208 1.126 H 3.959 4.379 0.218 H 5.726 4.140 0.106 H 4.741 4.310 -1.373 H 5.931 1.023 -2.979 H 4.617 2.230 -3.023 H 4.329 0.628 -2.289 charges.txt