%chk=Scan-CHO.chk
%nprocshared=12
%mem=22GB
#p opt=(modredundant,noeigentest) iop(1/8=10) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.96299200   10.74755000    1.81762700
 N                  1.38357200   11.97601000    0.29208400
 O                  3.75269000   10.90676200    1.58552500
 O                  1.71206600    9.21819300    0.87879400
 O                  2.07407400   12.42814400    2.92126000
 C                  2.53167300   12.86053500   -0.09117100
 H                  2.74707900   13.50800500    0.76055700
 H                  2.20695900   13.50025200   -0.91832200
 C                  3.76738500   12.09189000   -0.48723900
 C                  4.31572500   11.14796300    0.38898200
 C                  5.48336600   10.45308300    0.03662500
 C                  6.07587700   10.72173100   -1.19089100
 H                  6.97982800   10.18172600   -1.46259400
 C                  5.54567400   11.65459800   -2.08676200
 C                  4.38598000   12.32604700   -1.71550600
 H                  3.94482200   13.05176500   -2.39355700
 C                  0.99647300   11.17517600   -0.91891000
 H                  1.92652100   10.78901200   -1.33911500
 H                  0.55461200   11.85838800   -1.65132900
 C                  0.08191900   10.02122100   -0.63241000
 C                  0.54415800    9.04077200    0.25540100
 C                 -0.23298200    7.89387300    0.48826000
 C                 -1.44884800    7.76634100   -0.17465000
 H                 -2.04988600    6.87873000    0.01057300
 C                 -1.93301600    8.73998400   -1.05342500
 C                 -1.14826600    9.86925300   -1.26750500
 H                 -1.49130100   10.64477000   -1.94796600
 C                  0.20917200   12.80001400    0.68213400
 H                 -0.60790400   12.10261100    0.88282800
 H                 -0.08282800   13.40545600   -0.18286500
 C                  0.36212200   13.72088600    1.87268500
 C                  1.21019800   13.50289800    2.95244300
 C                  1.20860500   14.33744400    4.07508900
 C                  0.35099000   15.42961000    4.07458000
 H                  0.34400200   16.08539600    4.94065600
 C                 -0.49889400   15.70215500    3.00159700
 C                 -0.47894700   14.83568300    1.91736500
 H                 -1.13693900   15.02284600    1.07366100
 O                  4.71647200   10.27645600    5.30547900
 C                  3.61768500    9.61442100    5.99751000
 C                  4.13461200    9.07343500    4.76944600
 H                  2.72204500   10.22321000    5.89762800
 C                  0.24522800    6.87061400    1.47882800
 H                  1.30618300    6.64958000    1.34029900
 H                  0.12538400    7.24069900    2.50278700
 H                 -0.32168500    5.94074700    1.39274300
 C                  2.10016200   14.04366300    5.25049400
 H                  1.99187800   13.00503200    5.57738700
 H                  3.15489100   14.20314000    5.00950400
 H                  1.84649200   14.69273800    6.08986500
 C                 -1.41392000   16.89757200    3.03255700
 H                 -2.15947600   16.80116400    3.82795700
 H                 -0.85449800   17.81821900    3.22199700
 H                 -1.94536800   17.01303700    2.08572300
 C                 -3.25667500    8.55671000   -1.75163900
 H                 -3.20332900    7.76772500   -2.50940500
 H                 -4.04333900    8.27424400   -1.04588000
 H                 -3.56905200    9.47585900   -2.25317000
 C                  6.05107700    9.44884600    0.99944100
 H                  6.32998300    9.92207000    1.94655900
 H                  5.31359500    8.67699800    1.23894700
 H                  6.93829200    8.96622500    0.58418200
 C                  6.22233900   11.92177300   -3.40674100
 H                  7.18892700   12.41604400   -3.26386900
 H                  6.41130400   10.99159800   -3.95070200
 H                  5.60962200   12.56525400   -4.04236300
 H                  4.84158700    8.25387800    4.87197100
 C                  3.01025600    8.65608400    3.85508500
 H                  3.31212100    8.26422400    2.88369900
 O                  2.12932900    9.76005400    3.56246100
 C                  0.69318000    9.81308600    3.72331200
 O                  0.13051600    9.27164200    4.62894000
 O                  0.28926800   10.54682700    2.76964300
 H                  4.60541600   11.82218500    4.38448400
 O                  4.51477600   12.44969300    3.64490900
 H                  4.58982900   11.87153500    2.86217700
 H                  2.98538800   12.59476200    3.32533500
 C                  2.45554900    7.49341600    4.74609300
 H                  3.15986300    6.67409600    4.57048000
 H                  1.49424500    7.15703700    4.35861800
 C                  3.47121900    8.51863800    7.01428300
 C                  2.32035700    7.72695700    6.28954300
 H                  2.20773400    6.74669500    6.75943000
 H                  1.38943100    8.27053100    6.45750700
 H                  4.37813900    7.91844700    7.11200200
 H                  3.13910000    8.83656300    8.00495500 
 
 B 72 41 S 6 -0.37
 






