%chk=Al-OH2.chk
%nprocshared=4
%mem=6GB
#p opt freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 O                 -5.35855700    1.44000600    1.93881900
 C                 -6.09206400    0.30741300    2.04518100
 C                 -7.49133600    0.39287500    1.98892200
 C                 -8.23388000   -0.77732900    2.09679600
 C                 -7.63878000   -2.03169300    2.25225000
 C                 -6.25118400   -2.08955700    2.30254900
 C                 -5.46971200   -0.93833400    2.20941000
 H                 -1.34258400   -1.33869100    1.23376300
 H                 -9.31798400   -0.70952300    2.04913100
 H                 -5.75590300   -3.04927500    2.42150400
 H                 -4.63649900   -1.25475500   -0.15182200
 Al                -3.91353500    1.43679600    0.96532300
 H                 -1.68065300   -0.18872800    2.53135400
 O                 -2.55201800    2.36678600    1.56498800
 N                 -3.24777000   -0.40770200    1.16406500
 O                 -4.11851200    1.50596800   -0.77487800
 C                 -1.43921700    2.06258900    0.84358600
 C                 -1.03009400    0.72829400    0.71649900
 C                  0.06325700    0.42155000   -0.09004000
 C                  0.75792000    1.40915800   -0.77626200
 C                  0.34026200    2.73328200   -0.61949800
 C                 -0.74460300    3.08183800    0.17612500
 C                 -1.77336200   -0.35912000    1.45652800
 H                  0.35471900   -0.61872800   -0.20296600
 H                  0.86546200    3.52027600   -1.15533000
 C                 -3.30072500    0.80997300   -1.59658000
 C                 -2.72375400    1.44789300   -2.70071100
 C                 -1.87456400    0.71456400   -3.52682600
 C                 -1.57494100   -0.62587800   -3.28997000
 C                 -2.14267500   -1.23015800   -2.17115600
 C                 -2.99149000   -0.53032600   -1.32225000
 H                 -1.41858700    1.21579100   -4.37694700
 H                 -1.90276000   -2.26438400   -1.93830200
 C                 -3.54770800   -1.17904500   -0.08490000
 H                 -3.14592200   -2.18969600    0.03430700
 C                 -3.96965500   -1.02276200    2.32596400
 H                 -3.65123900   -2.06471900    2.42336100
 H                 -3.63634700   -0.48399800    3.21730300
 C                 -1.20865900    4.50449100    0.30695500
 H                 -1.10177900    4.86479500    1.33496100
 H                 -0.63236200    5.16234000   -0.34692700
 H                 -2.26782100    4.59856400    0.05009900
 C                 -2.99531400    2.90572400   -2.93556300
 H                 -2.44831100    3.26979900   -3.80777500
 H                 -4.06148000    3.09375300   -3.09383200
 H                 -2.69423600    3.49836200   -2.06608000
 C                 -0.66318900   -1.40060900   -4.20588600
 H                 -1.23559000   -2.03482900   -4.89138100
 H                 -0.04702300   -0.73162800   -4.81140000
 H                  0.00396400   -2.05443400   -3.63734500
 C                 -8.14339400    1.73341700    1.80337400
 H                 -7.89118200    2.41377400    2.62208000
 H                 -7.80113900    2.21054700    0.88030600
 H                 -9.22994500    1.63459500    1.75936100
 C                 -8.48231400   -3.27692400    2.34144000
 H                 -9.24788800   -3.18463300    3.11749300
 H                 -9.00028400   -3.47074100    1.39663300
 H                 -7.87158500   -4.15244700    2.57376700
 C                  1.89557000    1.06548500   -1.70138400
 H                  1.63521000    1.29262300   -2.74052000
 H                  2.79773300    1.63550600   -1.45985100
 H                  2.14100000    0.00249600   -1.64564700
 O                 -4.58985511    3.21281035    0.77436712
 H                 -4.78790374    3.73738607    1.55359562
 H                 -4.73173701    3.58089106   -0.10083921
   
     


