%nprocshared=12
%mem=20GB
#p opt=(modredundant,noeigentest) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.16114400    9.98042000   -1.92125500
 N                  2.19924800   12.10295700   -2.17719000
 O                  3.54248600   10.36412500   -0.54757700
 O                  0.46848500   10.01768200   -1.35979000
 O                  2.65641700    9.73730800   -3.60162300
 C                  3.54945900   12.70745800   -1.98233800
 H                  4.24352200   12.17119700   -2.63774100
 H                  3.51735900   13.75095300   -2.31911100
 C                  4.04926100   12.65949900   -0.56425400
 C                  4.06948700   11.45547700    0.12810900
 C                  4.55733900   11.32134400    1.42174500
 C                  5.05796800   12.47835300    2.02497100
 H                  5.45265500   12.40390600    3.03558400
 C                  5.05584800   13.71498900    1.37973500
 C                  4.53762200   13.78935400    0.08337000
 H                  4.51974400   14.74390800   -0.43744200
 C                  1.23323800   12.72684900   -1.22320600
 H                  1.53813800   12.43742500   -0.21199100
 H                  1.32614100   13.81817100   -1.29542000
 C                 -0.18752700   12.30715000   -1.47015000
 C                 -0.49913100   10.94010000   -1.49476400
 C                 -1.84333300   10.54018500   -1.64253200
 C                 -2.81531400   11.52228500   -1.82422100
 H                 -3.84882900   11.20569400   -1.95802200
 C                 -2.51732000   12.88873600   -1.84520400
 C                 -1.18925900   13.26032600   -1.65697300
 H                 -0.91883400   14.31486700   -1.65461900
 C                  1.75276400   12.41898400   -3.56923000
 H                  0.75023600   11.99753700   -3.68394200
 H                  1.65343700   13.50860900   -3.66132300
 C                  2.65742800   11.88396300   -4.64006100
 C                  3.02656700   10.53365100   -4.60578200
 C                  3.81404100    9.99604400   -5.64226400
 C                  4.21420800   10.83198000   -6.68039200
 H                  4.82558100   10.41530900   -7.47982800
 C                  3.86633700   12.18781000   -6.72861900
 C                  3.08850400   12.69542700   -5.69114800
 H                  2.80229900   13.74595000   -5.69619700
 O                  2.60985800    8.33181200   -1.34495300
 C                  2.46443100    7.19369200   -2.12575500
 C                  1.63129600    6.16902300   -1.35057500
 H                  3.43636800    6.74352400   -2.37544400
 H                  1.95679000    7.40016200   -3.08153600
 C                 -2.22606300    9.08742100   -1.58500000
 H                 -2.02779200    8.66580900   -0.59159300
 H                 -1.66940000    8.48149000   -2.30220300
 H                 -3.29269200    8.95933200   -1.79478600
 C                  4.20257700    8.54429800   -5.58671000
 H                  3.31935300    7.89487300   -5.57583000
 H                  4.76544000    8.32039100   -4.67274000
 H                  4.81998600    8.26789600   -6.44718300
 C                  4.31405600   13.05774900   -7.87719900
 H                  3.79674500   12.79090200   -8.80723500
 H                  5.38861500   12.95114500   -8.06539400
 H                  4.11088000   14.11499600   -7.67838300
 C                 -3.60179900   13.91504500   -2.05909500
 H                 -3.19667400   14.93150500   -2.02670500
 H                 -4.38140800   13.84165900   -1.29137500
 H                 -4.09343600   13.78244000   -3.03039100
 C                  4.54690300    9.98777500    2.11953400
 H                  5.16835800    9.24979500    1.59537600
 H                  3.53234400    9.57719800    2.19425900
 H                  4.94293200   10.08255300    3.13355100
 C                  5.60264500   14.94870100    2.05159900
 H                  6.51048900   15.30019600    1.54762900
 H                  5.85217800   14.75422600    3.09870700
 H                  4.87561400   15.76759600    2.02187000
 H                  2.18547700    5.72377500   -0.52560200
 C                  0.27932500    6.72246200   -0.93466300
 H                  0.27149800    7.80652900   -0.83342800
 H                 -0.14374000    6.23608500   -0.05272000
 O                 -0.54072600    6.36681800   -2.07002000
 C                  0.02603400    5.36491700   -2.70007900
 O                 -0.48863000    4.73438600   -3.61769900
 O                  1.23880100    5.08862600   -2.25019300
 H                  3.77307700    9.48176300   -0.19693400
 Al                -2.33252900    5.10976200   -4.36723600
 N                 -4.30645900    5.42416600   -5.07903100
 O                 -1.71096300    6.67912500   -4.96728000
 O                 -2.89457100    5.19417400   -2.67405600
 O                 -1.96184400    3.91347800   -5.62747100
 O                 -3.15773000    2.45784900   -3.58124900
 C                 -4.25838100    6.42365000   -6.18289300
 C                 -5.20951600    5.94461300   -4.01284000
 C                 -4.86623500    4.14176200   -5.58563500
 C                 -2.38066000    7.79438500   -5.24639000
 C                 -4.04597800    4.78075700   -2.15699800
 C                 -2.67541900    3.38747700   -6.61640000
 C                 -2.19896400    1.44551300   -3.79329500
 H                 -3.37093400    2.45002600   -2.63409600
 H                 -3.64655800    5.98556900   -6.97852000
 H                 -5.27321200    6.55457100   -6.58372700
 C                 -3.68041600    7.75314200   -5.77793700
 H                 -4.83115600    6.93480800   -3.73978200
 H                 -6.21333200    6.07780100   -4.43951800
 C                 -5.26006200    5.07338300   -2.79196500
 H                 -4.90265200    3.46117900   -4.73114300
 H                 -5.89716600    4.32101100   -5.92215100
 C                 -4.07493500    3.50027200   -6.69460400
 C                 -1.75136700    9.04088300   -5.04985400
 C                 -4.03913000    4.03411800   -0.96220600
 C                 -1.98333200    2.69109800   -7.63344900
 C                 -2.55293900    0.19569400   -3.02082600
 H                 -1.19747000    1.78578100   -3.49568600
 H                 -2.17510600    1.22871800   -4.86475800
 C                 -4.37867700    8.94390000   -5.99278500
 C                 -6.45423200    4.58693700   -2.26285700
 C                 -4.75169700    2.94401200   -7.78371000
 C                 -2.47729100   10.20511900   -5.27927600
 C                 -0.30937800    9.07599800   -4.62954100
 C                 -5.25239200    3.56821800   -0.45943100
 C                 -2.72115100    3.75134400   -0.29133800
 C                 -2.69672100    2.13946100   -8.69192300
 C                 -0.48748900    2.56659200   -7.53566700
 O                 -3.10713200    0.44306100   -1.72515600
 C                 -3.94074400   -0.15492600   -2.72885700
 H                 -1.80722500   -0.59849200   -3.05117600
 C                 -3.80287300   10.18520500   -5.73059900
 H                 -5.39384500    8.89300000   -6.38413800
 C                 -6.47362300    3.82585100   -1.09361100
 H                 -7.38847500    4.80779200   -2.77693800
 C                 -4.08793400    2.25535500   -8.79486600
 H                 -5.83429200    3.05304500   -7.83412900
 H                 -1.99377200   11.16483700   -5.09913000
 H                  0.33840100    8.64484700   -5.40258400
 H                 -0.13358300    8.49673900   -3.71851600
 H                  0.02055500   10.10171600   -4.45246200
 H                 -5.24586000    2.97583700    0.45490100
 H                 -2.27947600    4.66962100    0.11507100
 H                 -1.99201400    3.34775900   -1.00370000
 H                 -2.83836000    3.03497000    0.52718400
 H                 -2.15042000    1.60648800   -9.46971500
 H                 -0.18991500    2.07179800   -6.60346400
 H                 -0.00505400    3.55109100   -7.53082700
 H                 -0.08450800    1.99092800   -8.37497300
 H                 -4.20345000   -1.19487600   -2.54387400
 H                 -4.74401800    0.48111600   -3.09506400
 C                 -4.56608500   11.47189900   -5.92488200
 C                 -7.76534500    3.29387000   -0.52245200
 C                 -4.82950100    1.65697700   -9.96461000
 H                 -4.00752500   12.18029500   -6.54809900
 H                 -4.75774200   11.97001700   -4.96588600
 H                 -5.53408800   11.29435700   -6.40491900
 H                 -8.61005800    3.50915900   -1.18483300
 H                 -7.98750000    3.74058900    0.45448800
 H                 -7.72216800    2.20798700   -0.37629800
 H                 -4.65550200    0.57685400  -10.04201700
 H                 -4.50836800    2.10186000  -10.91452600
 H                 -5.90898300    1.81506200   -9.87217000
 
 B 77 82 S 5 -0.17
 






