%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 2.74003400 9.19988100 0.96610700 N 2.03434100 11.05111000 0.88619700 O 4.40792400 9.40585300 0.51540400 O 1.66172100 8.35262500 -0.10735600 O 1.27548100 12.23224400 4.59735300 C 3.22339500 11.96695900 1.01238900 H 3.62324900 11.81445000 2.01783800 H 2.87319700 12.99871500 0.94768300 C 4.29290500 11.73364900 -0.02476800 C 4.85021400 10.46047800 -0.20588100 C 5.87532900 10.25919500 -1.14437300 C 6.31521400 11.35026500 -1.88862100 H 7.10645100 11.19588900 -2.62065000 C 5.77136000 12.63081900 -1.73643000 C 4.75500400 12.79955300 -0.80056300 H 4.30643000 13.78121200 -0.66228700 C 1.45562900 11.16056900 -0.50233000 H 2.27059800 10.93021400 -1.19735400 H 1.17265400 12.19829600 -0.69126800 C 0.30269500 10.22537700 -0.73647600 C 0.47845900 8.84726300 -0.54076400 C -0.57408600 7.95654700 -0.80339700 C -1.78447400 8.47627900 -1.25692800 H -2.60221100 7.78603400 -1.45775000 C -1.98949500 9.84624300 -1.45235600 C -0.92973200 10.70784700 -1.17953400 H -1.05517400 11.77995700 -1.31886300 C 1.00292700 11.31418400 1.97201500 H 1.33884500 10.79248000 2.86885600 H 0.08603500 10.82618700 1.63607500 C 0.76585600 12.75976400 2.34267000 C 1.03217900 13.17623100 3.65522800 C 0.96071300 14.53577300 4.00458800 C 0.55828500 15.45064600 3.03876600 H 0.49634100 16.50407300 3.30815700 C 0.19695600 15.05659500 1.74450400 C 0.30228800 13.70795900 1.42167200 H 0.01492800 13.38707200 0.42458400 O 1.96418100 9.20377000 4.50040100 C 2.42295200 9.68745500 5.77005000 C -0.37415800 6.48267900 -0.58133400 H 0.46449300 6.10091000 -1.17433800 H -0.14315700 6.26874900 0.46889400 H -1.27249300 5.92121700 -0.85497400 C 1.29975500 14.95707000 5.40926900 H 0.65415600 14.45138100 6.13942900 H 2.33384400 14.70150800 5.66767000 H 1.17863000 16.03733500 5.53512600 C -0.29242800 16.07012600 0.74031400 H -1.20045600 16.57399100 1.09196400 H 0.45865900 16.84868600 0.56088200 H -0.52126500 15.59853500 -0.22055000 C -3.31202300 10.36472300 -1.95847800 H -3.42969400 10.17427000 -3.03252400 H -4.15242400 9.87838600 -1.45085400 H -3.40232500 11.44432000 -1.80211500 C 6.45317900 8.88313800 -1.32870900 H 6.88752800 8.50388300 -0.39667800 H 5.68046500 8.16677700 -1.63123800 H 7.23438700 8.88770600 -2.09433700 C 6.27375300 13.78181800 -2.57161300 H 7.34634700 13.94750300 -2.41656300 H 6.12774400 13.59126200 -3.64142400 H 5.75207200 14.71134300 -2.32320200 H 1.66134100 10.37962300 6.12442600 C 3.77136400 10.36467500 5.64241000 O 3.47950200 12.16560100 5.94991300 H 2.02238100 12.44388300 5.21434900 H 2.50073900 8.84097800 6.45735700 C 4.05387800 11.54423900 4.84182500 H 4.52937100 10.07603200 6.36048700 H 3.49727300 11.64254500 3.90469400 H 5.11576400 11.75197600 4.67840800 O 2.66623700 8.44300700 2.56431100 C 3.00444600 8.83770000 3.74989200 O 4.14480300 8.89682900 4.19574400