%nprocshared=8
%mem=20GB
#p opt=(modredundant,noeigentest) iop(1/8=1) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.51892100   10.82060500    1.56075900
 N                  1.70599900   12.09777300    0.20497000
 O                  4.26807100   11.07284500    1.19592500
 O                  2.30874400    9.36482800    0.46018400
 O                  2.56155300   12.18986600    2.91247600
 C                  2.76266200   13.08357000   -0.19250800
 H                  3.02121000   13.66389500    0.69489700
 H                  2.32840700   13.77780000   -0.92336700
 C                  4.00555100   12.43850600   -0.75228600
 C                  4.70152900   11.47290100    0.00319400
 C                  5.90224700   10.93599900   -0.51096900
 C                  6.36778600   11.36959000   -1.74836000
 H                  7.29366600   10.94513900   -2.13572700
 C                  5.68479900   12.32070700   -2.51577400
 C                  4.50077300   12.83698000   -1.99630000
 H                  3.94309000   13.57743200   -2.56809100
 C                  1.23576200   11.40606900   -1.03665300
 H                  2.13773200   11.16363300   -1.60519100
 H                  0.65221400   12.12388500   -1.62643600
 C                  0.46512200   10.14169800   -0.80002500
 C                  1.11287000    9.12747500   -0.07688200
 C                  0.48493700    7.87458100    0.06810100
 C                 -0.77054300    7.68432800   -0.50434800
 H                 -1.25542700    6.71549800   -0.38582000
 C                 -1.43873000    8.69238200   -1.21144200
 C                 -0.79859600    9.92344400   -1.34699600
 H                 -1.28398400   10.72743500   -1.89883100
 C                  0.54352100   12.76789000    0.85724000
 H                 -0.12535600   11.97218300    1.19785100
 H                  0.00534900   13.34357200    0.09406000
 C                  0.93467400   13.70252300    1.97551200
 C                  1.96943100   13.40023300    2.88772500
 C                  2.43101800   14.43540300    3.73402500
 C                  1.74915200   15.65201600    3.76417400
 H                  2.11457200   16.42801800    4.43530900
 C                  0.65244400   15.92337300    2.94878100
 C                  0.29502900   14.94077200    2.02994900
 H                 -0.49677600   15.14643600    1.31172400
 O                  3.68060913   11.59005478    5.31523847
 C                  2.74500215   10.58604573    5.87755888
 C                  3.97265513   10.01463712    5.35227448
 H                  2.66682816   10.68258357    6.95469689
 H                  1.80838874   10.57748416    5.33519903
 C                  1.17439100    6.79410600    0.85514100
 H                  2.18602000    6.60920900    0.47651100
 H                  1.28343400    7.07687000    1.91010100
 H                  0.61350100    5.85470000    0.81500800
 C                  3.68759300   14.29534800    4.55717900
 H                  3.50027000   13.89610200    5.56030300
 H                  4.42269100   13.64955800    4.06469700
 H                  4.15487600   15.27576400    4.69135200
 C                 -0.08494900   17.23576400    3.02908300
 H                 -0.85943400   17.21182100    3.80623800
 H                  0.59313500   18.06083600    3.27277200
 H                 -0.58114200   17.47203800    2.08189500
 C                 -2.80080500    8.44092900   -1.81139700
 H                 -2.76462200    7.66083900   -2.58203600
 H                 -3.52060000    8.10825200   -1.05365600
 H                 -3.20281300    9.34693400   -2.27668300
 C                  6.64073000    9.90469000    0.29783100
 H                  6.93298600   10.30101100    1.27770100
 H                  6.01077100    9.02827700    0.49100200
 H                  7.54604200    9.57139700   -0.21963800
 C                  6.21658200   12.75973000   -3.85800100
 H                  7.23174200   13.16664500   -3.77534300
 H                  6.26189700   11.92441700   -4.56776900
 H                  5.58248100   13.53527000   -4.30000600
 H                  4.75159503    9.88148842    6.09895591
 C                  4.40085788    9.51546762    4.00708882
 H                  5.15073316   10.18433654    3.58054291
 H                  4.84940809    8.52916825    4.14267060
 O                  3.31946674    9.44126390    3.11329451
 C                  2.18523586    8.85206436    3.74954634
 O                  2.17679967    8.91473092    4.96382381
 O                  1.37294976    8.52077895    2.85083215
 H                  3.28529900   11.80194000    4.46645500
 
 B 74 41 S 5 -0.07
 B 39 76 F





