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

Dimer

0 1
 Al                 1.89830600   10.77150300    2.00361900
 N                  1.37893500   11.86689800    0.35904600
 O                  3.69558100   10.77895300    1.75139300
 O                  1.47581400    9.16461800    1.29865600
 O                  2.14190945   12.49540882    2.81306702
 C                  2.56326900   12.64996600   -0.11537600
 H                  2.81064100   13.37686000    0.66060500
 H                  2.26445200   13.21305900   -1.00753900
 C                  3.76376900   11.79206000   -0.42421600
 C                  4.27293100   10.90539200    0.53641000
 C                  5.42736900   10.15324800    0.25498600
 C                  6.04024300   10.30247300   -0.98599300
 H                  6.93448800    9.71887500   -1.20013600
 C                  5.54386300   11.16914400   -1.96553400
 C                  4.39849300   11.90064300   -1.66365700
 H                  3.98629200   12.58299600   -2.40492900
 C                  0.95254200   10.94723300   -0.74998000
 H                  1.85697200   10.43468900   -1.08723500
 H                  0.58387300   11.56199600   -1.58005200
 C                 -0.06980000    9.93378800   -0.32880100
 C                  0.28005000    9.04586100    0.70159600
 C                 -0.63362800    8.04897100    1.09134100
 C                 -1.85981800    7.97074100    0.43360300
 H                 -2.56561100    7.20099500    0.74352200
 C                 -2.22599800    8.84884300   -0.59242100
 C                 -1.31155500    9.83556400   -0.95561800
 H                 -1.56188300   10.54243200   -1.74514500
 C                  0.24320700   12.78240200    0.65572000
 H                 -0.59822700   12.15064400    0.95513800
 H                 -0.04053600   13.27940100   -0.28014200
 C                  0.46467900   13.84616700    1.70973600
 C                  1.35255100   13.74645000    2.77775100
 C                  1.45424700   14.74164900    3.75721800
 C                  0.63841200   15.86171700    3.63683800
 H                  0.70743700   16.64048300    4.39334700
 C                 -0.26775000   16.00617100    2.58240300
 C                 -0.33642100   14.99067600    1.63450200
 H                 -1.03300700   15.08255600    0.80375100
 O                  0.86677300    7.76983400    5.72799300
 C                  2.03658300    7.46682600    4.94347600
 C                  2.02069900    8.61260000    5.83043700
 H                  1.83357400    7.69741500    3.89752800
 C                 -0.29368900    7.12650200    2.22801600
 H                  0.69107100    6.66667700    2.09133000
 H                 -0.26605900    7.66967100    3.18067600
 H                 -1.03632400    6.32757200    2.32130700
 C                  2.41506100   14.59005500    4.90654900
 H                  2.30485500   13.61317500    5.39210900
 H                  3.45744300   14.68304600    4.57965200
 H                  2.23530900   15.36276900    5.65854300
 C                 -1.15558800   17.22136800    2.49483300
 H                 -1.92532800   17.20081300    3.27560900
 H                 -0.58236400   18.14504600    2.62994500
 H                 -1.66372000   17.27533400    1.52725000
 C                 -3.55829000    8.71509800   -1.28784000
 H                 -3.54019700    7.91673500   -2.04074600
 H                 -4.35724800    8.47190300   -0.57870100
 H                 -3.83409000    9.64206100   -1.80150900
 C                  5.96616200    9.21173100    1.29698100
 H                  6.20887400    9.73859200    2.22797100
 H                  5.22832500    8.44274900    1.55044500
 H                  6.87342800    8.71333900    0.94267900
 C                  6.23568800   11.30412300   -3.29892900
 H                  7.22871500   11.75684300   -3.18872100
 H                  6.37721200   10.32782200   -3.77684700
 H                  5.65699400   11.93287700   -3.98285900
 H                  2.50253500    8.44957600    6.79760300
 C                  2.70638000    9.78632100    5.16956500
 H                  2.75652800   10.69058400    5.78322900
 O                  2.06371700   10.13830000    3.94532200
 C                  0.69939100   10.45672800    4.14318700
 O                  0.22721800   10.29831500    5.23875900
 O                  0.25678500   10.87715500    3.01947000
 C                  4.13204900    9.20659300    4.94920300
 H                  4.63166000    9.29930100    5.92040300
 H                  4.67927400    9.85551900    4.25833600
 C                  3.30866400    6.67468500    5.09107200
 C                  4.27020800    7.73294000    4.44757700
 H                  5.31322200    7.43318400    4.59300800
 H                  4.09062500    7.71848700    3.36675100
 H                  3.56408900    6.47461000    6.13622800
 H                  3.35387600    5.73784500    4.52572200
 H                  1.48193943    8.53728045    2.02529902
 
 B 72 41 S 5 -0.148
 






