%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 +5 1 C 1.60443342683406 -6.16150506239438 -2.31429140220402 C 0.40747817121391 -6.64520378506848 -1.48243411833929 C -0.06542104026846 -5.64977317815488 -0.41328353442727 C -1.30055847408714 -4.85712792313824 -0.84024559404042 C 2.03229615208237 -7.27803737689890 -3.27701050675669 C 1.28873151608005 -4.87594067023299 -3.07384664472012 C -1.73625361901675 -3.86320994252939 0.24224430621236 C 3.38407210024932 -7.03324183319000 -3.93962882703358 C -2.27150791753369 -4.54617262139185 1.47788023978696 O -1.66709313383443 -4.53693262641338 2.55132828474819 H 2.44237066920813 -5.96744960073005 -1.63405054902769 H 0.70754152314253 -7.57911307873270 -1.00316682030018 H -0.41430258671532 -6.87889953319774 -2.16252006097793 H 0.74946711395885 -4.96309529072569 -0.17981272340948 H -0.29630422447163 -6.18698335287854 0.50808261120307 H -2.11239600328577 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