%chk=Scan-Carb7.chk
%nprocshared=12
%mem=22GB
#p opt=(modredundant,noeigentest) iop(1/8=1) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.54815600   11.94061800    1.88846900
 N                  1.39712100   12.74225600   -0.03601600
 O                  3.27026600   11.55816300    1.70504200
 O                  0.37610900   10.60913800    1.49400600
 O                  0.96758900   13.42023200    2.66023300
 C                  2.69316900   13.39067500   -0.39296100
 H                  2.88045700   14.16388100    0.35984200
 H                  2.57420100   13.89728800   -1.35968600
 C                  3.84779800   12.43128800   -0.44577200
 C                  4.08177000   11.57559600    0.64042700
 C                  5.19628600   10.71486800    0.62119400
 C                  6.03371700   10.72524500   -0.49127600
 H                  6.89038300   10.05247300   -0.50393900
 C                  5.80677100   11.55660900   -1.59378200
 C                  4.70045900   12.40157100   -1.55028100
 H                  4.49001000   13.05927700   -2.39204300
 C                  1.10060400   11.66567300   -1.02345000
 H                  1.90888400   10.93096200   -0.95295400
 H                  1.13298500   12.09588200   -2.03274600
 C                 -0.22512200   11.00066700   -0.78457300
 C                 -0.52129400   10.49173400    0.48317400
 C                 -1.75120700    9.85893100    0.72521400
 C                 -2.65487800    9.74259500   -0.32860700
 H                 -3.60976500    9.25366100   -0.14249900
 C                 -2.38341900   10.23824200   -1.60745500
 C                 -1.16191400   10.87563700   -1.81088000
 H                 -0.92468500   11.28768200   -2.78971700
 C                  0.31109500   13.76503300   -0.08107500
 H                 -0.62059500   13.25461600    0.18429900
 H                  0.20746000   14.11973600   -1.11502500
 C                  0.54308300   14.92206100    0.84878000
 C                  0.84123300   14.66919800    2.19459900
 C                  1.00724800   15.74583100    3.08745000
 C                  0.87340700   17.04409200    2.60364000
 H                  1.00355500   17.87364100    3.29750700
 C                  0.58780000   17.31934400    1.26115400
 C                  0.43207100   16.23865500    0.39710700
 H                  0.21492500   16.41596900   -0.65484200
 C                 -2.07445200    9.32827500    2.09598100
 H                 -1.51351600    8.41217300    2.31997700
 H                 -1.83027100   10.05983300    2.87430500
 H                 -3.13833300    9.08798600    2.17744100
 C                  1.32925900   15.46354500    4.52901500
 H                  0.54068800   14.86922400    5.00506800
 H                  2.25613300   14.88544500    4.62132500
 H                  1.44659400   16.39382900    5.09341000
 C                  0.46033800   18.74289200    0.77758000
 H                 -0.37030300   19.26126800    1.27198400
 H                  1.36928000   19.31967400    0.98686000
 H                  0.28117100   18.78173600   -0.30163900
 C                 -3.39213800   10.09230800   -2.71900200
 H                 -3.60733400    9.03696500   -2.92420100
 H                 -4.34383400   10.57145700   -2.46086800
 H                 -3.02880400   10.54641800   -3.64612500
 C                  5.44248400    9.79901800    1.78847900
 H                  5.46501300   10.35353600    2.73318500
 H                  4.64485600    9.05206100    1.88191700
 H                  6.39244300    9.26751600    1.67599100
 C                  6.73793000   11.53733300   -2.78072500
 H                  7.68733200   12.03940800   -2.55541700
 H                  6.97975000   10.51143000   -3.08101300
 H                  6.29373200   12.04462100   -3.64321300
 O                  0.87399900    9.08228700    3.46741500
 H                  0.54385800    9.48587700    2.60077800
 C                  1.50092800   10.01929300    4.10686500
 O                  1.94397800    9.59857900    5.26045700
 O                  1.70022000   11.17683500    3.72380800
 C                  1.51582800    8.24218200    5.53169300
 C                  1.83522300    7.17733900    4.49964000
 H                  0.44678100    8.24836000    5.76319200
 O                  1.16620500    6.75095800    3.32226100
 C                  2.54215300    7.12936100    3.21842400
 H                  2.05496700    6.28685000    5.10027500
 H                  3.23931600    6.31243600    3.03835100
 H                  2.73475200    8.03280200    2.64736900
 H                  2.06960800    7.98547200    6.43361400
 
 B 63 69 S 5 -0.154





