%chk=Hemi-Carb.chk
%nprocshared=8
%mem=20GB
#p opt=(noeigentest,modredundant,VeryTight) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.10972000   11.03205000    1.90543400
 N                  1.67294900   12.19944000    0.25975600
 O                  4.14908500   11.10602600    1.46456300
 O                  2.19467300    9.49862600    0.87133100
 O                  2.46372100   12.57091600    2.83473700
 C                  2.81524700   13.08633000   -0.10948800
 H                  3.05753500   13.69510100    0.76065500
 H                  2.48681500   13.75916300   -0.90894600
 C                  4.04269800   12.34031700   -0.57051800
 C                  4.66956000   11.37441600    0.20903100
 C                  5.79793200   10.68044400   -0.22785000
 C                  6.31053100   10.99904000   -1.48028200
 H                  7.18946900   10.46612100   -1.83158700
 C                  5.72862700   11.97160500   -2.29228200
 C                  4.59366300   12.62152700   -1.82081500
 H                  4.10761400   13.36767800   -2.44209900
 C                  1.27744400   11.41092900   -0.94450100
 H                  2.20415200   11.14247200   -1.45516800
 H                  0.71109100   12.06321200   -1.61798700
 C                  0.52871000   10.13412500   -0.68715100
 C                  1.12866200    9.17478000    0.14491500
 C                  0.59743300    7.87144000    0.18053000
 C                 -0.56161200    7.59812100   -0.54046900
 H                 -0.97805900    6.59401400   -0.49341900
 C                 -1.21253600    8.56338400   -1.31277900
 C                 -0.63551800    9.82853400   -1.38584300
 H                 -1.08826800   10.59180100   -2.01447400
 C                  0.51172200   13.03143800    0.68688600
 H                 -0.28751400   12.33068300    0.94097900
 H                  0.18401900   13.62802100   -0.17297400
 C                  0.77680200   13.95647100    1.85183500
 C                  1.71032000   13.65850700    2.85991200
 C                  1.89273200   14.58574500    3.91247000
 C                  1.12112800   15.73695100    3.95499800
 H                  1.26913900   16.43586000    4.77560100
 C                  0.16659300   16.03205100    2.97564600
 C                  0.02501100   15.13108200    1.93005200
 H                 -0.69434100   15.34011800    1.14146600
 O                  2.75390900    9.90283200    3.47027200
 C                  2.27208800   10.29376700    4.78580900
 C                  1.58438200    9.24064400    4.04990600
 H                  2.96472700   10.03899500    5.57938000
 H                  1.83525400   11.28477600    4.80022000
 C                  1.30736400    6.80573100    0.96850800
 H                  2.27246700    6.56087100    0.51195800
 H                  1.52206800    7.13488500    1.98816900
 H                  0.71429800    5.88914400    1.01506300
 C                  2.92534600   14.28961700    4.96299400
 H                  2.71490800   13.34495900    5.47375900
 H                  3.92045000   14.18490200    4.51907300
 H                  2.96181100   15.08402100    5.71217900
 C                 -0.67122000   17.28242300    3.06123800
 H                 -1.42673500   17.20573700    3.85101300
 H                 -0.05842500   18.16076200    3.28636900
 H                 -1.19591100   17.47087600    2.12123700
 C                 -2.47996100    8.22953300   -2.05859600
 H                 -2.31453800    7.44229000   -2.80141300
 H                 -3.26050100    7.87311700   -1.37881600
 H                 -2.87068300    9.10490900   -2.58310400
 C                  6.42546000    9.62008000    0.63569200
 H                  6.77124100   10.02582000    1.59303400
 H                  5.72430100    8.80379900    0.84576600
 H                  7.28976700    9.18224200    0.13596800
 C                  6.32233900   12.30170800   -3.63578700
 H                  7.27680100   12.82539500   -3.52185800
 H                  6.51637400   11.39408400   -4.21381200
 H                  5.65675200   12.94160100   -4.21883200
 H                  1.77589300    8.20531500    4.31128200
 C                  0.30740000    9.56646600    3.28752200
 H                  0.07224600    8.72594600    2.61947300
 H                 -0.50763800    9.62025400    4.02499300
 O                  0.45072400   10.75940300    2.59848100
 H                  4.57226700   10.32458200    1.84230300
 C                 -0.54774544   11.69607603    3.18626687
 O                 -0.47669114   11.83042586    4.50755465
 O                 -1.54783976   11.87188963    2.44027697
 
 B 74 72 F
 






