%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                 1.87623500   12.47006400    2.08803500
 N                  0.78239900   13.73504800    0.74165700
 O                  3.34724100   12.70300300    1.09602900
 O                  0.81590300   11.05819300    1.62405500
 O                  1.47685200   13.58081500    3.42479400
 C                  1.67421200   14.82325600    0.25536400
 H                  2.04519600   15.35438100    1.13635000
 H                  1.07597000   15.53402400   -0.32843700
 C                  2.82651300   14.32681700   -0.56689800
 C                  3.61299800   13.27986300   -0.07077800
 C                  4.71136200   12.82510300   -0.82751800
 C                  4.98757200   13.43255800   -2.04663800
 H                  5.83651600   13.07506900   -2.62546600
 C                  4.21084600   14.47665000   -2.55773500
 C                  3.12680800   14.90364900   -1.79943800
 H                  2.49323900   15.70579300   -2.16964500
 C                  0.30515700   12.93778200   -0.42007700
 H                  1.17988500   12.46460300   -0.87301700
 H                 -0.12736800   13.61581000   -1.16608300
 C                 -0.70004000   11.89948800   -0.02032800
 C                 -0.38800200   11.01497900    1.01715800
 C                 -1.34999100   10.08333400    1.44314200
 C                 -2.57746100   10.03932900    0.79042200
 H                 -3.31701000    9.31726400    1.12842800
 C                 -2.89734100   10.89383300   -0.26535000
 C                 -1.94282400   11.83007000   -0.64608900
 H                 -2.16688300   12.53455500   -1.44271400
 C                 -0.38547500   14.34629800    1.43432800
 H                 -1.00650700   13.52694800    1.80599600
 H                 -0.98224200   14.90265200    0.70078700
 C                 -0.00185100   15.24467200    2.57466200
 C                  0.90937600   14.77701000    3.52892100
 C                  1.23787800   15.59202000    4.63025000
 C                  0.64665700   16.84416200    4.74127800
 H                  0.90529400   17.46825000    5.59398100
 C                 -0.25921700   17.33141400    3.79374200
 C                 -0.56597900   16.51249000    2.71282000
 H                 -1.26345300   16.86115100    1.95501700
 C                 -1.04837200    9.16437900    2.59138100
 H                 -1.96919100    8.78186800    3.03717000
 H                 -0.46240500    8.29997300    2.26252600
 H                 -0.46964600    9.67846700    3.36114300
 C                  2.22037400   15.08049100    5.64514400
 H                  3.18507100   14.85760500    5.17896800
 H                  2.38079400   15.81266400    6.44008000
 H                  1.87083000   14.14718700    6.09681200
 C                 -0.86655400   18.70313300    3.94417700
 H                 -1.38741700   18.80705500    4.90126700
 H                 -0.10000000   19.48417600    3.90875600
 H                 -1.58674300   18.90669600    3.14805400
 C                 -4.23832500   10.80761500   -0.94737000
 H                 -4.38031400    9.83117600   -1.42134700
 H                 -5.05634100   10.94298500   -0.23305800
 H                 -4.33806100   11.57191800   -1.72149400
 C                  5.54382100   11.69221100   -0.29786000
 H                  6.35992300   11.45178000   -0.98318500
 H                  5.97199500   11.93798900    0.67851100
 H                  4.93815700   10.79172100   -0.15366000
 C                  4.54559500   15.10840700   -3.88486400
 H                  4.61646500   14.35712600   -4.67749700
 H                  3.78493300   15.83524900   -4.17943600
 H                  5.50759000   15.63009300   -3.84678600
 O                  1.58018100   10.56581400    4.89982400
 H                  1.77346000    8.26222700    3.52559600
 C                  2.59817900   10.66172400    4.23373000
 O                  3.62922100    9.82367400    4.56206200
 O                  2.88636800   11.36883300    3.22550300
 C                  3.33250700    9.02108600    5.69690200
 C                  1.89773900    8.48228700    5.65737700
 H                  3.38153000    9.64052000    6.59708100
 O                  1.27765800    8.08742300    4.37625600
 C                  1.70725800    7.04201000    5.35886200
 H                  1.17141900    8.94260000    6.30253600
 H                  0.81135900    6.56559700    5.73794200
 O                  2.15999800    8.71931600    2.12687300
 H                  3.07429900    9.01770500    2.07562900
 H                  1.62930300    9.52493800    1.91412900
 C                  4.37902100    7.91989100    5.75060200
 C                  2.82448700    6.13539900    4.94986900
 C                  4.13660100    6.86877700    4.67360900
 H                  5.36245600    8.38157800    5.64518400
 H                  4.33829300    7.45284700    6.73987900
 H                  4.11873300    7.34305900    3.68770800
 H                  4.95159900    6.14374700    4.65406000
 H                  2.95608300    5.45308700    5.79683000
 H                  2.50348500    5.52273900    4.10311700
 
 B 63 69 S 5 -0.087

 
 
