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

Dimer

0 1
 Al                 2.80989400   10.71211000    1.75005500
 N                  1.91591600   11.93275500    0.27006000
 O                  4.40600700   10.92338200    0.99314800
 O                  1.68305100    9.38498600    1.37935700
 O                  2.12397100   12.05995900    3.02112200
 C                  2.86422700   13.01007500   -0.14735900
 H                  3.11816600   13.58353100    0.75042500
 H                  2.34221700   13.68950600   -0.83364000
 C                  4.11774500   12.48432000   -0.78905800
 C                  4.83213700   11.45979800   -0.15320200
 C                  6.02174200   10.97559800   -0.73210500
 C                  6.46306100   11.53664900   -1.92673600
 H                  7.38188500   11.15780000   -2.37257500
 C                  5.76371500   12.55952200   -2.57899100
 C                  4.58499200   13.01414900   -1.99323900
 H                  4.01042400   13.80060500   -2.48013000
 C                  1.62578000   11.06145300   -0.90956300
 H                  2.56787500   10.58379900   -1.19691300
 H                  1.31817300   11.70256900   -1.74623400
 C                  0.58093400   10.01698500   -0.64302900
 C                  0.69215100    9.21432100    0.50085600
 C                 -0.26494100    8.20660400    0.73720900
 C                 -1.29681300    8.03132500   -0.18066000
 H                 -2.03391600    7.25120800    0.00602100
 C                 -1.42633300    8.82514200   -1.32648600
 C                 -0.47528200    9.82073900   -1.53391600
 H                 -0.54925900   10.46273800   -2.41018300
 C                  0.63599400   12.54429300    0.72933800
 H                  0.00140100   11.73606300    1.10471500
 H                  0.12770200   12.98551700   -0.13714300
 C                  0.81753100   13.59459800    1.78825900
 C                  1.56193200   13.32162600    2.93169900
 C                  1.78697400   14.28793300    3.91614600
 C                  1.18399000   15.53338200    3.73659200
 H                  1.34445600   16.29535600    4.49663700
 C                  0.40842600   15.84178200    2.61723000
 C                  0.25093700   14.85960000    1.64190800
 H                 -0.32195700   15.07548300    0.74300800
 O                  2.87653900   11.00133600    5.24233300
 C                  2.59001700    9.59802900    5.40831100
 C                  3.92734500    9.97815000    4.92741400
 H                  2.46469000    9.30792600    6.45042000
 H                  1.85802800    9.19871600    4.71487200
 C                 -0.14924100    7.35741700    1.97322700
 H                  0.82662300    6.86150300    2.02641900
 H                 -0.24075000    7.96357100    2.88276200
 H                 -0.92818600    6.58906200    1.99602100
 C                  2.66073500   14.02191900    5.11229300
 H                  2.20766300   13.30355100    5.80253400
 H                  3.63247600   13.61164900    4.81522000
 H                  2.83883200   14.95125900    5.65976300
 C                 -0.22181500   17.20301200    2.47084300
 H                 -0.98689500   17.36803300    3.23874400
 H                  0.52359100   17.99878300    2.57975800
 H                 -0.69924900   17.31759400    1.49299600
 C                 -2.55786600    8.59829900   -2.29828700
 H                 -2.45991800    7.63215100   -2.80869800
 H                 -3.52883500    8.59579100   -1.78940900
 H                 -2.58322100    9.37748200   -3.06670900
 C                  6.77206400    9.86695900   -0.04663600
 H                  7.14808200   10.18609600    0.93287000
 H                  6.12252700    9.00285700    0.13446300
 H                  7.62598500    9.53896300   -0.64766800
 C                  6.27592200   13.13878100   -3.87457000
 H                  7.24703600   13.63031000   -3.73840000
 H                  6.41268300   12.36163200   -4.63611000
 H                  5.58109500   13.88249600   -4.27810100
 H                  4.54519000   10.08675700    5.86190600
 C                  4.68048200    9.74931500    3.73471600
 H                  5.44795700   10.49783300    3.50109000
 H                  5.06450600    8.73257500    3.57008300
 O                  3.42754100   10.00352600    3.28639500
 H                  2.37396900   11.71548600    3.95510400
 
 B 41 72 F





