%chk=IC-M062X.chk %nprocshared=8 %mem=22GB #p opt freq=noraman m062x/6-311G** nosymm scrf=(smd,solvent=butanone) IC 0 1 Al 2.52238800 10.85728400 1.71083600 N 1.76751000 11.97614500 0.14039900 O 4.18944800 10.96134500 1.10744500 O 1.49517600 9.44649800 1.28697600 O 1.91350000 11.97778900 2.94677200 C 2.75410400 13.02470900 -0.24059300 H 2.93304500 13.63789100 0.64687000 H 2.30252300 13.67299400 -1.00041600 C 4.05509800 12.46701400 -0.74297900 C 4.71502200 11.47267100 -0.00985600 C 5.95810400 10.99096600 -0.46143100 C 6.49820000 11.51289000 -1.63100500 H 7.45724400 11.13268500 -1.97558600 C 5.85021800 12.49804200 -2.38092200 C 4.62395200 12.95828900 -1.91684100 H 4.08895700 13.72082200 -2.47712700 C 1.51170000 11.09030600 -1.02981700 H 2.45996000 10.60672700 -1.28083300 H 1.22516000 11.71379400 -1.88475300 C 0.45991300 10.04853500 -0.77491300 C 0.52868700 9.26333600 0.38168600 C -0.43580300 8.26421800 0.60387300 C -1.43785900 8.07771600 -0.34159700 H -2.18242900 7.30475900 -0.16575600 C -1.52742000 8.85369400 -1.50040000 C -0.56712800 9.84012700 -1.69366300 H -0.61183900 10.46776700 -2.57996200 C 0.49358100 12.62167100 0.56436800 H -0.19008700 11.82209600 0.86211900 H 0.05061800 13.12689400 -0.30185300 C 0.67142900 13.59190100 1.69616800 C 1.37480600 13.19732400 2.84206700 C 1.52031000 14.10750600 3.90666500 C 0.95599400 15.37275500 3.79314300 H 1.07777700 16.07082800 4.61827300 C 0.25148500 15.78284500 2.65816200 C 0.12646700 14.87257400 1.61622600 H -0.40421700 15.15859300 0.71174300 O 4.84967200 11.36413300 4.70256200 C 3.93938700 10.70293800 5.58464200 C 4.87822400 9.94572500 4.76342500 H 4.14222000 10.83714800 6.64417600 H 2.90079800 10.75890800 5.27593500 C -0.35900100 7.43507500 1.85460200 H 0.60076100 6.91355600 1.92610200 H -0.44542000 8.06006300 2.74918700 H -1.15611700 6.68897000 1.87861200 C 2.28470200 13.69401400 5.13112200 H 1.77577000 12.88043600 5.65790300 H 3.27572800 13.31962200 4.86357100 H 2.39501000 14.53138000 5.82409800 C -0.33348100 17.16914900 2.57084000 H -1.05792700 17.34858200 3.37159000 H 0.44333200 17.93546700 2.65925200 H -0.84505100 17.32133000 1.61748000 C -2.62801600 8.61853400 -2.50301800 H -2.50895600 7.65284200 -3.00533000 H -3.61040000 8.61356500 -2.02160500 H -2.63341000 9.39436900 -3.27212100 C 6.66668100 9.92736200 0.32843800 H 6.90674300 10.27938000 1.33670200 H 6.04041400 9.03739200 0.44414100 H 7.59717100 9.63233200 -0.16162300 C 6.46310400 13.03229000 -3.65000200 H 7.42751000 13.51291400 -3.45679200 H 6.64126200 12.23174100 -4.37494300 H 5.81068000 13.77110600 -4.12137500 H 5.77231800 9.53251500 5.22806300 C 4.45936400 9.19662800 3.53221500 H 5.14535600 9.40369000 2.71054300 H 4.46380900 8.12613300 3.74595400 O 3.13570800 9.57057900 3.11125900 H 2.58668400 8.79124000 2.96763200