%chk=Guess.chk %nprocshared=8 %mem=30GB #p freq=noraman wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone) Dimer 0 1 Al 2.71962800 9.19059300 0.96881400 N 2.01821400 11.04275800 0.89083100 O 4.38953600 9.39266200 0.53002100 O 1.64761800 8.35040900 -0.11208000 O 1.30559500 12.24227500 4.57959300 C 3.20998200 11.95211900 1.03449400 H 3.60363400 11.78833500 2.04298800 H 2.86331300 12.98657500 0.97868500 C 4.28376300 11.72372300 0.00091100 C 4.83792500 10.44984100 -0.18536200 C 5.86599600 10.25160700 -1.12144000 C 6.31053500 11.34563700 -1.85852700 H 7.10349500 11.19329000 -2.58913100 C 5.76915000 12.62669600 -1.70141000 C 4.75062700 12.79283000 -0.76748300 H 4.30369800 13.77471400 -0.62545900 C 1.45085200 11.16218300 -0.50066800 H 2.27099800 10.93537700 -1.19058800 H 1.16990300 12.20144400 -0.68246000 C 0.29873300 10.22939800 -0.74861200 C 0.46973900 8.85012300 -0.55552600 C -0.58333900 7.96314600 -0.82940500 C -1.78878700 8.48716300 -1.29086900 H -2.60675300 7.79964500 -1.49997300 C -1.98874300 9.85822500 -1.48413300 C -0.92880900 10.71610400 -1.20059800 H -1.04993500 11.78893100 -1.33841200 C 0.98017000 11.30147500 1.96914500 H 1.31245100 10.78378300 2.86767800 H 0.06491700 10.81231900 1.62737000 C 0.73821300 12.74826300 2.33324700 C 1.02652200 13.17939300 3.63654700 C 0.95330900 14.54075600 3.97895100 C 0.53149100 15.44603100 3.01196000 H 0.47120100 16.50125500 3.27318600 C 0.14921300 15.03798800 1.72835400 C 0.25399600 13.68698400 1.41357800 H -0.05012500 13.35539100 0.42506000 O 1.95964400 9.20333300 4.53232800 C 2.47991400 9.70958000 5.77939300 C -0.38881400 6.48815700 -0.60986500 H 0.45155100 6.10533100 -1.19977800 H -0.16304200 6.27127000 0.44088500 H -1.28742800 5.92983900 -0.88895100 C 1.31645300 14.97096700 5.37524900 H 0.67319300 14.48458200 6.11860400 H 2.35168000 14.70374500 5.62405100 H 1.21222600 16.05315600 5.49123800 C -0.35901400 16.04158400 0.72379300 H -1.25851600 16.55036800 1.08945600 H 0.39015700 16.81620900 0.52188800 H -0.60825300 15.56045600 -0.22704800 C -3.30650100 10.38146700 -1.99771800 H -3.41936800 10.19091400 -3.07225300 H -4.15137400 9.89855500 -1.49422900 H -3.39355900 11.46146700 -1.84226200 C 6.44167700 8.87539000 -1.31116300 H 6.87502600 8.49171700 -0.38045800 H 5.66798300 8.16145900 -1.61688000 H 7.22330200 8.88181100 -2.07636000 C 6.27598600 13.78066100 -2.52980600 H 7.34836500 13.94404300 -2.37088100 H 6.13283100 13.59501600 -3.60087000 H 5.75494600 14.70987700 -2.27886000 H 1.78901600 10.47320200 6.11542500 C 3.87473300 10.23594000 5.52270400 O 3.65376200 12.07490300 6.06770200 H 2.00676600 12.51309600 5.21848900 H 2.50730900 8.88143500 6.49138300 C 4.13034700 11.53340700 4.89211700 H 4.64045600 9.91270100 6.21714000 H 3.53966600 11.73420700 3.98670800 H 5.19422200 11.71225300 4.66774000 O 2.63456900 8.44652300 2.58581200 C 2.96759300 8.85433600 3.75677300 O 4.12277900 8.96236700 4.21004200