%chk=Al-M06.chk %nprocshared=24 %mem=60GB #p opt=(noeigentest) iop(1/8=1) freq=noraman M06/6-311G** nosymm scrf=(smd,solvent=butanone) IC 0 1 O -5.37768000 1.44402200 1.88114300 C -6.10183800 0.31172200 2.01327900 C -7.50398600 0.38657100 1.98856000 C -8.23595000 -0.78633900 2.12267600 C -7.63300200 -2.03600600 2.27456900 C -6.24543400 -2.08449600 2.29837100 C -5.47177600 -0.93075000 2.18108700 H -1.34824100 -1.33747000 1.19941800 H -9.32401100 -0.72464300 2.10084300 H -5.74143100 -3.04240800 2.42164000 H -4.64090700 -1.24764000 -0.17415600 Al -3.91908200 1.43686900 0.93674500 H -1.69703500 -0.20920200 2.51950600 O -2.57200900 2.36226600 1.56126800 N -3.25087000 -0.39750900 1.13410000 O -4.10127100 1.52357900 -0.80186500 C -1.43916800 2.07152200 0.86889800 C -1.02064900 0.73895500 0.73270100 C 0.10626500 0.44948800 -0.03669700 C 0.82715600 1.45220200 -0.67752500 C 0.39729400 2.77134700 -0.51604600 C -0.72192300 3.10369300 0.23982900 C -1.77611800 -0.35507900 1.43599900 H 0.41089000 -0.59036300 -0.15200700 H 0.94226400 3.57046700 -1.01917900 C -3.30737300 0.81029500 -1.63830400 C -2.75064400 1.42757700 -2.77909400 C -1.92825800 0.67043400 -3.62002800 C -1.62897700 -0.66892400 -3.37016400 C -2.17092500 -1.25087200 -2.21988500 C -2.99931000 -0.53236700 -1.35587300 H -1.49272700 1.15547600 -4.49409300 H -1.93140000 -2.28638600 -1.97665200 C -3.54717600 -1.17027200 -0.11563500 H -3.14648300 -2.18512300 0.01051500 C -3.97889000 -1.00986300 2.29372600 H -3.65213000 -2.05330100 2.39546900 H -3.64023200 -0.46520400 3.18482500 C -1.19981600 4.51476800 0.36033700 H -1.18303900 4.86119400 1.40029500 H -0.57911800 5.19008100 -0.23568200 H -2.23812500 4.61368600 0.02006900 C -2.99896300 2.88039500 -3.02879500 H -2.50725500 3.21047400 -3.94849300 H -4.06824800 3.10517500 -3.11013400 H -2.61535700 3.48965800 -2.19967100 C -0.75135400 -1.45894800 -4.29372500 H -1.34020500 -2.09727500 -4.96462500 H -0.13984600 -0.80383500 -4.92226000 H -0.07680100 -2.11874100 -3.73695000 C -8.16938000 1.71333100 1.81506400 H -7.88577700 2.41197200 2.61039700 H -7.87772000 2.18651700 0.87040300 H -9.25797600 1.60952200 1.82333200 C -8.46522800 -3.27537600 2.39640000 H -9.21316000 -3.18120600 3.19198200 H -9.01404300 -3.48340600 1.46982900 H -7.84748100 -4.15046700 2.61926800 C 1.99490200 1.13206800 -1.55963800 H 1.76583100 1.35285100 -2.61017900 H 2.87973400 1.72261900 -1.29588800 H 2.26445200 0.07335100 -1.49713200