%chk=After.chk %nprocshared=8 %mem=22GB #p opt=(noeigentest) iop(1/8=10) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone) Dimer 0 1 Al 2.73669000 9.18892200 0.96684000 N 2.03048300 11.02976800 0.89854500 O 4.39020400 9.40347800 0.48643200 O 1.61681300 8.33849500 -0.04698000 O 1.31534700 12.25415400 4.59762800 C 3.21442400 11.95029700 1.02930600 H 3.61733200 11.79519100 2.03475600 H 2.85588600 12.97980800 0.97581900 C 4.28237000 11.73536700 -0.01237400 C 4.83864900 10.46806000 -0.21518200 C 5.86452700 10.28547700 -1.15393700 C 6.30377900 11.38825400 -1.87646400 H 7.09493300 11.24757000 -2.60888800 C 5.75907800 12.66357500 -1.70281000 C 4.74420100 12.81457200 -0.76586700 H 4.29482000 13.79135000 -0.61037900 C 1.45792200 11.13954800 -0.49092800 H 2.26969500 10.89550000 -1.18270100 H 1.18626200 12.17706300 -0.68134300 C 0.29755800 10.21634300 -0.72983800 C 0.45266100 8.84055400 -0.51823500 C -0.60587000 7.96287000 -0.79077500 C -1.79969900 8.49297600 -1.26847600 H -2.62130200 7.81213500 -1.47647100 C -1.98394900 9.86167200 -1.47810500 C -0.91871900 10.71008100 -1.19769000 H -1.02703200 11.78100900 -1.34665300 C 0.99461800 11.29130200 1.97938300 H 1.32610900 10.79127600 2.88779700 H 0.07874600 10.79944100 1.64326600 C 0.75645700 12.73776600 2.33887200 C 1.04552000 13.15936100 3.65144200 C 0.98091200 14.53530000 3.96496500 C 0.56623600 15.43348700 2.99164000 H 0.51442700 16.48994500 3.24388600 C 0.18061300 15.02017700 1.71275300 C 0.27848600 13.66884700 1.41104100 H -0.02277500 13.33090500 0.42563700 O 1.97606800 9.18638200 4.49994700 C 2.44216100 9.65600200 5.78720300 C -0.42884100 6.49035100 -0.55309200 H 0.41233500 6.09497300 -1.12971600 H -0.21444000 6.28547100 0.50030100 H -1.32918900 5.94011200 -0.83406300 C 1.33753700 14.98217300 5.35562700 H 0.64285200 14.56195500 6.09066400 H 2.33586100 14.63942300 5.63398000 H 1.30473600 16.07022500 5.43753200 C -0.32351300 16.01818700 0.70245900 H -1.22226200 16.52774300 1.06323600 H 0.42614800 16.78917500 0.49906600 H -0.57005400 15.53197000 -0.24413400 C -3.29116600 10.39215100 -2.00666800 H -3.39159600 10.19858700 -3.07986900 H -4.14207600 9.91707800 -1.51060800 H -3.37053600 11.47112200 -1.85522700 C 6.44380700 8.91514000 -1.36040500 H 6.87836800 8.52442300 -0.43556200 H 5.67171000 8.20462600 -1.67079300 H 7.22214800 8.93363300 -2.12572700 C 6.25984200 13.82799500 -2.51751400 H 7.32991100 13.99162600 -2.35730000 H 6.11484100 13.65261700 -3.58796100 H 5.73617500 14.74977000 -2.25448200 H 1.78828200 10.46191000 6.10299900 C 3.87453400 10.06871100 5.47903300 O 3.43957100 12.29096500 5.86934900 H 2.18803300 12.41158800 5.20885500 H 2.40350300 8.81178000 6.48045100 C 4.03482200 11.49252800 4.93446500 H 4.57223200 9.84548700 6.28330600 H 3.56600500 11.53395100 3.92838300 H 5.11477300 11.67940900 4.76948900 O 2.77720100 8.43877600 2.60989200 C 2.99847500 8.84911400 3.77886400 O 4.14573100 8.98753800 4.32992500