%chk=After.chk %nprocshared=12 %mem=22GB #p opt=(noeigentest) iop(1/8=1) freq=noraman b97d3/6-311G** nosymm scrf=(smd,solvent=butanone) IC 0 1 Al 1.99139700 10.73198600 2.05620800 N 1.32953400 11.82084500 0.37292800 O 3.74350300 10.88105100 1.52528500 O 1.06582800 9.27831700 1.52382200 O 1.46642200 12.05632200 3.15266600 C 2.35663100 12.85389900 0.00414800 H 2.52159300 13.46943800 0.89589800 H 1.94003800 13.50438700 -0.77745300 C 3.64860900 12.24360500 -0.46031300 C 4.28555800 11.27275100 0.33736000 C 5.50423900 10.69607300 -0.09027200 C 6.05049400 11.11500700 -1.31072600 H 6.99060500 10.66578200 -1.63807700 C 5.43166000 12.07681600 -2.12596100 C 4.22157100 12.62396900 -1.68219600 H 3.70480800 13.36262500 -2.29515200 C 1.11069300 10.91063100 -0.80254800 H 2.06931100 10.41652200 -1.00046100 H 0.86534600 11.52500200 -1.68055000 C 0.04131200 9.88430900 -0.56176800 C 0.10538400 9.09254600 0.60512900 C -0.86301400 8.07656500 0.81302200 C -1.86954000 7.89798600 -0.14326500 H -2.61528200 7.11914700 0.02441300 C -1.96110600 8.69165400 -1.30177200 C -0.99086400 9.68403700 -1.48937900 H -1.03143600 10.31919800 -2.37496200 C 0.03229200 12.50310400 0.70369100 H -0.66577500 11.71203200 1.00606500 H -0.36435700 12.96157400 -0.21360800 C 0.15177500 13.53883500 1.78705100 C 0.84548500 13.23064100 2.97825800 C 0.89197900 14.19101000 4.02402300 C 0.25056000 15.42126000 3.84388300 H 0.29022200 16.15215200 4.65322400 C -0.43634400 15.74863200 2.65998600 C -0.46679800 14.78931600 1.64083500 H -0.98801700 15.00943700 0.70842000 O 5.63898700 10.01499200 5.40388400 C 4.32391900 9.73730700 5.91116600 C 4.04537100 8.59981200 4.98612100 H 4.38140400 9.42241400 6.95627000 H 3.63793000 10.58060000 5.79786500 C -0.78655300 7.22763000 2.05599500 H 0.18261900 6.71494200 2.12964900 H -0.87817400 7.84052800 2.96202300 H -1.58027700 6.47168000 2.06368100 C 1.62678900 13.86022800 5.29724100 H 1.23423500 12.94383200 5.75785400 H 2.69380400 13.67471000 5.10812300 H 1.54699500 14.67814400 6.02257100 C -1.12037700 17.08789700 2.50490300 H -1.94203100 17.20653000 3.22617000 H -0.42357700 17.92041100 2.67620300 H -1.54158700 17.20376200 1.49916400 C -3.06894300 8.47057400 -2.30653100 H -2.96895400 7.49856200 -2.81141100 H -4.05644400 8.48056200 -1.82492900 H -3.06291500 9.24824900 -3.07943400 C 6.18198300 9.64822100 0.75225400 H 6.45688800 10.03779100 1.74324200 H 5.52116100 8.78430200 0.92074800 H 7.09482300 9.29041700 0.26654200 C 6.05698800 12.49903100 -3.43509100 H 7.00204900 13.03690700 -3.27177400 H 6.28788800 11.63060300 -4.06705300 H 5.38995900 13.16086200 -3.99954600 H 4.53629200 7.65445800 5.22401700 C 3.59222900 8.80824000 3.59561900 H 4.42821100 9.18417100 2.97984700 H 3.29127400 7.84697700 3.15243500 O 2.54440900 9.74034200 3.62087800 C 1.39433100 9.10172800 4.87214400 O 2.05336400 8.26008500 5.48872400 O 0.33130600 9.62950700 4.80397000 H 5.50952800 10.70214700 4.68464900 O 5.15441200 11.89281800 3.59812700 H 4.66095500 11.52230200 2.82158300 H 4.53164800 12.52458400 3.98805700