%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 Cl -8.07537788919158 -1.70001946099906 7.44885342815710 O -3.22877344400013 4.02066191005780 -4.04247300224904 O -1.08036329951156 1.62626203607214 -3.60125042662002 O -0.28427278333375 5.22578420057755 -0.38441769139233 O -0.92175294755679 -1.29835977766047 -3.68983056692033 O 1.49605978979118 -1.76220730684705 0.82588697688521 O 0.78729496477482 3.13849930644184 3.05842302498119 O 0.67792645040766 0.88962367811246 0.61707735738315 O 4.82960610237106 2.46460192436043 0.92872573101770 O 2.01725411362656 -4.58174730804792 0.34029223696884 O 2.89614309110838 -0.89355970166227 4.57506380676076 O 1.58699425674648 -4.02706167827312 5.39291180852688 O -1.86398257917105 -1.25285941246854 4.06338448189911 N -0.54261300725495 2.43353279885123 -5.63376990613109 N -1.04331703582872 4.50374090695725 -3.79018787981741 N 0.95775709296666 -0.03313371988492 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