%NProcShared=16 %Mem=16Gb #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 8.260749 5.373324 -3.806270 O 6.761339 9.500805 -6.432069 O 8.871632 11.235313 -7.550725 O 7.715107 12.098114 -4.181666 O 7.384161 7.893632 -4.947446 O 8.993389 9.751114 -3.517882 O 7.171025 14.190488 -3.614584 O 5.897271 3.724817 -3.319326 O 1.940762 4.604140 -4.007353 O 5.361961 1.781363 -2.362903 O 3.351822 0.306823 -4.124440 O -2.197065 -2.075921 -2.079149 N 9.791472 14.871150 -2.945200 N 2.546506 2.133306 -2.995557 C 6.575586 10.882806 -6.849312 C 7.891970 11.668536 -6.609536 C 8.499455 11.437868 -5.207136 C 8.544876 9.948435 -4.846997 C 7.185399 9.283528 -5.101000 C 5.384527 11.523138 -6.116106 C 6.263000 10.784464 -8.343321 C 9.753848 12.261739 -7.991591 C 8.051563 13.350533 -3.708882 C 6.313501 7.084880 -4.687375 C 9.415392 13.579395 -3.272256 C 6.599862 5.824315 -4.143404 C 4.979573 7.437931 -4.947374 C 5.563874 4.922661 -3.855995 C 10.504519 12.753554 -2.983008 C 3.961891 6.542442 -4.649603 C 4.230395 5.282033 -4.106144 C 11.067826 14.892460 -2.475434 C 11.533649 13.576953 -2.486011 C 3.150668 4.309692 -3.823804 C 11.747888 16.156131 -2.059157 C 3.578916 3.051104 -3.325677 C 4.911907 2.758275 -2.950020 C 2.468048 0.842817 -3.447098 C 1.225815 0.100421 -3.053364 C 0.883406 -1.040069 -3.792688 C -0.254721 -1.801447 -3.522756 C 0.398516 0.472885 -1.982774 C -0.628626 -2.962101 -4.438141 C -1.064753 -1.405415 -2.435465 C -0.730946 -0.277092 -1.675818 C -1.204353 -4.217657 -3.796680 C -0.611967 -5.017885 -2.889840 C 0.768519 -4.782466 -2.332340 C -1.307695 -6.253447 -2.374892 H 8.453268 10.325675 -2.952674 H -2.158501 -2.973005 -2.461690 H 9.172916 15.664840 -3.038441 H 1.668923 2.596272 -2.789496 H 7.683673 12.739107 -6.739854 H 9.513453 11.840072 -5.197697 H 9.266128 9.462021 -5.508948 H 6.434334 9.629242 -4.376346 H 4.491845 10.912249 -6.278442 H 5.551394 11.636343 -5.045269 H 5.190411 12.519310 -6.524941 H 6.155449 11.783820 -8.774925 H 7.060742 10.260666 -8.869428 H 5.322560 10.244904 -8.485132 H 9.207478 13.060118 -8.511299 H 10.322250 12.707113 -7.164183 H 10.455783 11.796935 -8.686737 H 4.759618 8.390612 -5.410576 H 10.524213 11.678590 -3.090784 H 2.925944 6.795543 -4.847109 H 12.516083 13.263128 -2.162013 H 11.185148 16.675641 -1.275807 H 12.744035 15.934007 -1.672041 H 11.856919 16.849989 -2.900356 H 1.533560 -1.325692 -4.614171 H 0.650959 1.323476 -1.357702 H -1.367577 -2.597675 -5.162923 H 0.258061 -3.219192 -5.029875 H -1.366201 -0.013109 -0.836406 H -2.186673 -4.518024 -4.161181 H 1.404062 -5.655731 -2.525762 H 1.255582 -3.902081 -2.752817 H 0.730103 -4.663722 -1.242212 H -0.720705 -7.151436 -2.605835 H -1.406041 -6.220070 -1.282599 H -2.304534 -6.373823 -2.806851 charges.dat