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

Dimer

0 1
 Al                 2.14266600   11.35265800   -1.75638500
 N                  1.48487000   12.27387200   -0.07629100
 O                  3.77303700   12.09967000   -1.79809300
 O                  0.40067800   10.28397800   -1.66210800
 O                  1.24587500   12.29673100   -2.98062300
 C                  2.54432600   13.21643700    0.42482100
 H                  2.56815300   14.04805100   -0.28406800
 H                  2.21784100   13.60982900    1.39449100
 C                  3.91301600   12.60509900    0.51787500
 C                  4.48531600   12.09938200   -0.65951600
 C                  5.79660800   11.59259700   -0.63746000
 C                  6.49527900   11.60594800    0.56750100
 H                  7.50947000   11.20877400    0.58550000
 C                  5.94062000   12.09782400    1.75518700
 C                  4.63771000   12.59025100    1.70968500
 H                  4.17579000   12.98280500    2.61405800
 C                  1.18438300   11.29955600    1.00748700
 H                  2.12648400   10.79987100    1.25108500
 H                  0.88012400   11.86684300    1.89602400
 C                  0.12645700   10.25229600    0.72865800
 C                 -0.22360600    9.76184400   -0.52456300
 C                 -1.17527000    8.75619800   -0.70957400
 C                 -1.78377300    8.22757700    0.42405000
 H                 -2.52867900    7.44452700    0.30201300
 C                 -1.46029400    8.67556600    1.70836300
 C                 -0.51274700    9.68655300    1.83704700
 H                 -0.25766700   10.05684300    2.82747900
 C                  0.26110400   13.07888100   -0.40519200
 H                 -0.54040700   12.37490400   -0.64302000
 H                 -0.04172400   13.61643000    0.50111200
 C                  0.47048900   14.04778200   -1.54165500
 C                  0.95219400   13.59271600   -2.78102700
 C                  1.12211000   14.50579100   -3.83933800
 C                  0.79951100   15.84381000   -3.63271600
 H                  0.93543500   16.54626300   -4.45394200
 C                  0.31934000   16.31923400   -2.40682300
 C                  0.16973500   15.40109900   -1.37131400
 H                 -0.19083900   15.73960900   -0.40153300
 O                  2.71394900    9.82402900   -3.12306100
 C                  3.39555200    9.45032400   -4.32838000
 C                  4.11379200    8.08819200   -4.20321000
 H                  4.11805700   10.23176900   -4.56746000
 H                  2.63514900    9.39355000   -5.10710400
 C                 -1.51626300    8.28009400   -2.09600100
 H                 -0.61961900    7.96052900   -2.63883100
 H                 -1.99465600    9.06986400   -2.68966400
 H                 -2.21087200    7.43755900   -2.05232800
 C                  1.65487400   14.00927900   -5.15563800
 H                  0.99861700   13.24547700   -5.58896800
 H                  2.63940800   13.54310200   -5.03181400
 H                  1.74871800   14.82747800   -5.87634100
 C                 -0.02180300   17.77703800   -2.22390000
 H                 -0.88869800   18.06502100   -2.83151100
 H                  0.81045000   18.42453200   -2.52347300
 H                 -0.26038000   18.00016000   -1.17900100
 C                 -2.11283300    8.06219900    2.92048000
 H                 -1.66443100    7.08834300    3.15087400
 H                 -3.18230500    7.89692200    2.75437600
 H                 -1.99549000    8.69871200    3.80254400
 C                  6.39159800   11.02949700   -1.89919100
 H                  6.31115200   11.73970900   -2.72915000
 H                  5.86938700   10.11584600   -2.20994500
 H                  7.44762500   10.77925700   -1.75875100
 C                  6.74248400   12.10401000    3.03325200
 H                  7.53695000   12.86017200    3.00305100
 H                  7.22547500   11.13583300    3.20777600
 H                  6.10979000   12.32619900    3.89874500
 H                  5.10875400    8.07027100   -3.78822100
 C                  3.27028400    6.80623000   -4.15993100
 H                  2.26660400    6.98825800   -3.77154400
 H                  3.75797200    6.03711800   -3.55942600
 O                  3.13672300    6.33038100   -5.49954800
 C                  3.92013300    7.03597000   -6.33833600
 O                  4.54420400    8.01670600   -5.71541400
 O                  4.01780200    6.77218900   -7.51147200
 H                 -0.23947500   10.63291300   -2.30658900
 C                  3.17088300    9.11639800   -2.03140400
 O                  3.83293400    8.12290900   -2.28221400
 O                  2.80779400    9.69244700   -0.96479800

B 41 78 S 5 -0.05



