%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 +3 1 O 2.26684982685632 2.46919118942675 -1.20427840526162 O 2.53628530797621 1.97179651828471 -4.24112579838792 O 5.97495388918584 3.82355871856446 0.60919979515927 O -1.63320369159453 -0.95749609229129 -4.19807944069510 O 4.43551016145848 -0.28916938460673 4.97892680119719 O -0.49862491816460 -0.99144835922921 -1.57847430732838 O 4.34656860641205 1.35615391547558 0.88142785913953 O 2.46646286726654 -1.25047644978914 0.80380567171603 O -3.88855629773696 -3.71830847286812 1.10441052998796 O -3.80203486275352 0.21342598546561 2.67986507752158 O -6.07762117137882 -3.21295135742222 7.74829628243229 O -7.24808435779214 -2.13637935451393 3.79525121923751 O -5.43502488655376 -5.78605164163564 7.05704488341235 N 1.86711082665918 0.33457447004292 -2.84954081708181 N 4.42696620294462 2.45080604255552 -1.89140766510562 N -0.70452331420864 1.04077731943253 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