%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 +4 1 O -1.162776 0.033180 0.951871 O 1.570341 -0.041319 -0.219703 O 1.423417 -0.709279 3.401723 O -2.727884 0.968331 2.347706 O 3.648686 0.625792 -1.102853 O -2.384303 2.250426 -0.133832 O -6.330243 1.479607 1.838232 N -0.369471 -3.140295 2.753489 N 2.312511 -2.994155 1.869902 N -5.480086 0.151514 -0.140281 N 0.269910 2.160448 -1.069413 N 5.222503 -1.236648 -3.887112 C -0.509119 -0.770085 1.956267 C 1.900235 -0.726270 1.000042 C 0.946810 -0.278855 2.130623 C -0.621488 -2.256686 1.542315 C 1.803100 -2.236225 0.699986 C 0.344660 -2.631654 0.412420 C -2.535736 0.215907 1.157671 C -4.605835 1.340217 0.223918 C -3.102161 1.033881 -0.009106 C 2.407696 1.035120 -0.589132 C -4.947029 1.801248 1.682976 C 1.622483 1.835259 -1.644324 C 3.609838 -0.155851 -2.313426 C 1.494138 1.056411 -2.952567 C -4.114162 0.998311 2.711094 C 2.893427 0.623277 -3.421482 C 5.099827 -0.462013 -2.581915 C -4.742961 3.311041 1.839247 C 5.760325 -1.233105 -1.444280 C -5.841728 0.042251 -1.593725 C 6.627155 -1.491439 -4.362556 H 1.903885 -1.545722 3.283043 H -2.196132 2.563291 0.766508 H -6.665817 1.825876 2.676965 H -0.710402 -4.092219 2.591457 H 0.657025 -3.192371 2.914822 H -0.832131 -2.791184 3.597287 H 2.319723 -3.990280 1.649281 H 3.291316 -2.761805 2.037911 H -5.064519 -0.731786 0.167999 H -6.335107 0.268905 0.428687 H 0.330033 2.903208 -0.367529 H -0.397462 2.481327 -1.776172 H -0.143491 1.339651 -0.600416 H 4.736450 -2.135297 -3.797593 H 4.731484 -0.727811 -4.627182 H -1.008640 -0.603034 2.915197 H 2.925003 -0.476372 1.296771 H 0.912055 0.814714 2.154902 H -1.648788 -2.463907 1.240238 H 2.398152 -2.432956 -0.199270 H 0.274785 -3.700787 0.186337 H 0.010580 -2.102513 -0.483513 H -3.050240 -0.753944 1.258181 H -4.896146 2.128781 -0.471887 H -2.973025 0.492129 -0.950254 H 2.657573 1.653514 0.279709 H 2.131831 2.785524 -1.812331 H 3.074024 -1.094173 -2.117070 H 0.860768 0.176041 -2.802544 H 1.023604 1.682399 -3.716098 H -4.508340 -0.023353 2.794336 H -4.166984 1.466583 3.695587 H 3.486499 1.504323 -3.693337 H 2.771767 0.008510 -4.319117 H 5.620872 0.482535 -2.760265 H -5.070625 3.617547 2.837464 H -3.697670 3.606797 1.736881 H -5.331445 3.853853 1.095982 H 5.603702 -0.678257 -0.519321 H 5.319319 -2.228242 -1.326144 H 6.836186 -1.335496 -1.594160 H -6.451434 -0.850682 -1.721213 H -6.406820 0.929863 -1.872760 H -4.933371 -0.035260 -2.187878 H 7.121738 -2.165853 -3.668839 H 6.566198 -1.946960 -5.349293 H 7.149496 -0.537528 -4.414955 charges.txt