%NProcShared=64 %Mem=64Gb #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 C -9.441608 -1.101959 -2.174375 C -9.562088 -2.146185 -3.286642 C -10.529134 -0.027560 -2.297419 C -9.453795 -1.734527 -0.780033 N -8.104713 -0.350273 -2.360106 C -6.820006 -1.113649 -2.314530 C -5.851546 -0.282392 -1.452256 O -6.301340 0.659254 -0.790789 N -4.570518 -0.688185 -1.489590 C -3.459606 -0.171085 -0.782011 C -3.514812 0.863310 0.148190 C -2.356702 1.306962 0.813002 N -2.414579 2.365957 1.771358 C -3.473172 3.351922 1.575808 C -2.354704 1.916677 3.166508 C -1.118433 0.712287 0.515786 C 0.158644 1.163614 1.172463 C 1.370173 1.049034 0.234761 C 2.649755 1.448989 0.968474 C 3.884817 1.213122 0.086118 C 5.119495 1.815574 0.760448 N 6.205151 2.284455 -0.240714 C 7.284718 1.283744 -0.559583 C 6.814594 3.586688 0.208212 C 5.774210 0.962039 1.870216 O 6.519350 1.583243 2.640952 C 5.552092 -0.460077 1.860230 C 6.144229 -1.272723 2.977861 O 6.301257 -0.814262 4.113907 N 6.512545 -2.551268 2.671926 C 4.891068 -1.077604 0.773255 O 4.952927 -2.320072 0.496818 C 4.043077 -0.270997 -0.245066 O 4.736556 -0.320721 -1.510485 C 2.683284 -0.979558 -0.455359 O 2.807543 -2.253456 -0.844364 C 1.472641 -0.356098 -0.335822 C 0.228197 -0.991640 -0.776102 O 0.213650 -2.029701 -1.484367 C -1.056002 -0.344640 -0.420514 C -2.231977 -0.803931 -1.054315 O -2.235545 -1.828102 -1.930271 H -8.777688 -2.905202 -3.226281 H -10.523630 -2.655234 -3.186652 H -9.528580 -1.682399 -4.277107 H -10.505671 0.459235 -3.277231 H -11.507602 -0.498894 -2.181919 H -10.429694 0.736981 -1.521021 H -8.708651 -2.525997 -0.668086 H -9.295683 -0.986817 0.002660 H -10.434073 -2.188445 -0.617656 H -8.151874 0.170859 -3.239839 H -7.988637 0.364379 -1.611680 H -6.446109 -1.273598 -3.325045 H -6.987052 -2.083007 -1.844456 H -4.332684 -1.470822 -2.090551 H -4.472005 1.317300 0.357743 H -3.264990 4.219792 2.209336 H -3.488779 3.682290 0.534287 H -4.479709 2.984960 1.841088 H -1.519937 1.229251 3.313458 H -2.202161 2.782204 3.818881 H -3.279874 1.405403 3.483040 H 0.040679 2.197364 1.509819 H 0.351337 0.557684 2.070286 H 1.213073 1.760668 -0.590980 H 2.593627 2.506159 1.247280 H 2.739215 0.872226 1.897346 H 3.704908 1.727911 -0.867142 H 4.814121 2.741330 1.248920 H 5.712857 2.466380 -1.119878 H 7.857633 1.094969 0.345706 H 6.814446 0.379756 -0.935692 H 7.923457 1.723828 -1.324144 H 7.253822 3.418658 1.189631 H 7.568735 3.885836 -0.518407 H 6.028097 4.338128 0.264630 H 6.141744 -2.961726 1.821468 H 6.724831 -3.149660 3.458145 H 4.976099 -1.245754 -1.677465 H 3.681948 -2.560136 -0.452916 H -1.281479 -2.158175 -1.930696 charges.txt