%chk=Alkoxide.chk
%nprocshared=12
%mem=22GB
#p opt=(noeigentest) iop(1/8=10) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                -5.58360400    2.57139400    4.48645400
 O                 -4.13030000    2.65276800    3.28824300
 O                 -5.22437700    3.87749500    5.74025000
 N                 -6.45384200    4.10629800    3.11396600
 O                 -7.30755400    2.10155300    4.93629000
 O                 -5.48921000    0.45252400    2.42308700
 C                 -6.23694800    4.61365800    6.19775900
 C                 -7.10422800    5.29792900    5.30187800
 C                 -8.24758200    5.95874300    5.75764700
 C                 -8.52621200    5.97115900    7.11893500
 C                 -7.66508600    5.39383300    8.04582300
 C                 -6.52677400    4.74276900    7.57310700
 C                 -6.70218300    5.39530000    3.85284100
 H                 -8.92701300    6.42980900    5.05425100
 H                 -7.87780000    5.42187600    9.10816100
 C                 -8.47418700    2.71560900    4.78063100
 C                 -9.46296200    2.76204400    5.79141500
 C                -10.68022900    3.42263800    5.63943600
 C                -10.94232100    4.06306300    4.43529600
 C                -10.00375500    4.07512600    3.41106400
 C                 -8.78592700    3.41579500    3.58542500
 H                -11.38648900    3.45805600    6.46037900
 H                -10.20279200    4.61692400    2.49064200
 C                 -7.71821700    3.54188500    2.54522400
 C                 -3.52713500    3.88441800    3.12000200
 C                 -2.31043400    4.23161400    3.71488400
 C                 -1.74570600    5.48849400    3.50050600
 C                 -2.43163300    6.39470100    2.69770600
 C                 -3.66752400    6.09876800    2.13427300
 C                 -4.21739700    4.83471500    2.36421100
 H                 -0.78875400    5.73980000    3.94174100
 H                 -4.19460400    6.83161900    1.53173700
 C                 -5.59147400    4.43689700    1.92296300
 C                 -6.00866200   -0.69300900    2.01320500
 C                 -7.40758300   -0.93493400    1.96591900
 C                 -7.98372600   -2.13206400    1.54726400
 C                 -7.14882600   -3.15990100    1.13454600
 C                 -5.77101400   -3.00265100    1.15683400
 C                 -5.20719100   -1.80429100    1.60395000
 H                 -1.27590600   -1.74600600    0.95976800
 H                 -9.06199000   -2.24299000    1.54239500
 H                 -5.12510900   -3.82100700    0.85124400
 H                 -4.45657200   -0.83056100   -0.43814700
 Al                -3.74275500    1.16132500    2.03459900
 H                 -1.43625900   -0.71142400    2.40458400
 O                 -2.07997000    1.98130800    1.70055600
 N                 -3.05598600   -0.59318700    1.08778400
 O                 -4.46427400    1.86626400    0.41704100
 H                 -7.45536300    2.57369400    2.10967300
 C                 -1.10669900    1.66236700    0.88581400
 C                 -0.75500500    0.30666200    0.63871500
 C                  0.26233100   -0.04030100   -0.25163000
 C                  0.94840300    0.96346200   -0.92618400
 C                  0.63245300    2.30701900   -0.74430400
 C                 -0.37851600    2.63390400    0.15489600
 C                 -1.57217000   -0.74887500    1.31919200
 H                  0.49925600   -1.08502600   -0.43689400
 H                  1.14168600    3.08411900   -1.30273800
 C                 -3.76997900    1.84915100   -0.70764800
 C                 -3.61642600    2.97459200   -1.54874200
 C                 -2.80674300    2.97930900   -2.68115900
 C                 -2.14493800    1.80444800   -3.01990100
 C                 -2.30281900    0.64143700   -2.27586900
 C                 -3.11356500    0.66005800   -1.13920000
 H                 -2.68230900    3.88506600   -3.26315300
 H                 -1.77468900   -0.26361000   -2.56005800
 C                 -3.38408400   -0.61322700   -0.38081500
 H                 -2.84461600   -1.45317400   -0.84271200
 H                 -5.75068800    5.93562400    3.81833000
 H                 -7.44575800    5.98033300    3.29251800
 H                 -8.06863200    4.19803100    1.73456000
 C                 -3.71411300   -1.76584000    1.74990300
 H                 -3.28497300   -2.68771900    1.32938000
 H                 -3.44431700   -1.71921800    2.80819100
 H                 -5.54095000    3.55455500    1.28005200
 H                 -6.07253400    5.24779200    1.35934900
 O                 -4.77455000    0.94924500    5.21545300
 C                 -5.39269100    0.08245100    6.21947900
 C                 -4.01090358   -0.26314738    5.66731911
 H                 -5.57679601    0.64632001    7.11001653
 O                 -3.04415000    0.33148900    3.68686600
 C                 -1.57254492    3.24363213    4.63738686
 H                 -2.15862849    3.06996087    5.51559204
 H                 -1.42098956    2.31878054    4.12107251
 H                 -0.62532771    3.65570037    4.91645555
 C                 -5.56180269    4.14047681    8.61121801
 H                 -5.35829160    4.86522246    9.37163039
 H                 -6.00897411    3.27503102    9.05387060
 H                 -4.64767552    3.86270136    8.12943764
 C                 -9.83035166    6.62249239    7.61550782
 H                 -9.60340358    7.34102570    8.37518174
 H                -10.31928380    7.11001144    6.79809084
 H                -10.47449022    5.86898963    8.01827214
 C                 -9.20029088    2.14752724    7.17884897
 H                 -9.39320710    1.09559542    7.14534104
 H                 -8.18025276    2.31443956    7.45554830
 H                 -9.84490763    2.60557750    7.89965353
 C                -12.27519698    4.81300937    4.25468021
 H                -12.86011216    4.32489696    3.50333441
 H                -12.81223021    4.81383873    5.18015016
 H                -12.07933733    5.82135887    3.95506332
 C                 -8.40372928    0.14466784    2.42825271
 H                 -8.24480118    0.35607485    3.46505015
 H                 -8.25476282    1.03614141    1.85555394
 H                 -9.40375118   -0.20810011    2.28538575
 C                 -7.76057473   -4.48751046    0.64996719
 H                 -7.95651155   -4.42762599   -0.40023403
 H                 -7.07474425   -5.28656318    0.83983901
 H                 -8.67551443   -4.67077176    1.17360890
 C                 -4.35199964    4.28412926   -1.20867791
 H                 -5.37372709    4.06893922   -0.97486972
 H                 -3.88334164    4.74798455   -0.36600481
 H                 -4.31001035    4.94533694   -2.04888104
 C                 -1.20011712    1.80413421   -4.23600684
 H                 -0.74155477    0.84206965   -4.33115070
 H                 -1.75908734    2.02200733   -5.12199985
 H                 -0.44324306    2.54810766   -4.09982625
 C                 -0.76393879    4.11647075    0.31315247
 H                 -1.82979746    4.21039030    0.30821076
 H                 -0.37738452    4.48862967    1.23888112
 H                 -0.35242801    4.68048692   -0.49767713
 C                  2.06025616    0.58172144   -1.92099891
 H                  2.26411623    1.41231259   -2.56400701
 H                  2.94728761    0.32180514   -1.38200102
 H                  1.74188565   -0.25418864   -2.50819099
 C                 -1.79709708    7.77234624    2.43113937
 H                 -2.09297548    8.45595567    3.19927616
 H                 -0.73114788    7.67939493    2.42762415
 H                 -2.12628923    8.13888278    1.48130597
 H                 -6.31949188   -0.29467958    5.84038449
 H                 -3.18633198   -0.07756044    6.32347394
 C                 -3.66726736   -0.87046276    4.35554882
 H                 -4.54401651   -1.19477901    3.83494351
 H                 -2.95890067   -1.66453176    4.46766959
 H                 -6.05082578    0.99531846    2.98126430
 






