%chk=TS-Isom.chk
%nprocshared=8
%mem=30GB
#p opt=(ts,calcfc,noeigentest) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.95020800   10.84327100    1.83853400
 N                  1.72537000   11.91325200    0.14396500
 O                  3.75090000   10.09165700    0.61959700
 O                  1.23612900    9.29383100    1.39409100
 O                  0.65670200   11.67252400    2.78529000
 C                  2.91837200   12.75873400   -0.16383400
 H                  3.13523800   13.33258000    0.74397500
 H                  2.62248500   13.48101400   -0.93326100
 C                  4.17419700   12.06353400   -0.63695100
 C                  4.60221700   10.81703400   -0.19095300
 C                  5.80671500   10.24898700   -0.62609900
 C                  6.60295300   10.99357600   -1.49118100
 H                  7.54490800   10.56630300   -1.82921400
 C                  6.21677300   12.25402900   -1.95620100
 C                  4.99491700   12.76208000   -1.52832600
 H                  4.66532500   13.73462900   -1.88743100
 C                  1.41219700   10.96758800   -0.97919200
 H                  2.31431300   10.39161700   -1.18654300
 H                  1.18945100   11.56521100   -1.87093400
 C                  0.26525900   10.02945200   -0.68210700
 C                  0.26076500    9.22289000    0.47236900
 C                 -0.78261500    8.29675000    0.66799700
 C                 -1.79095000    8.20003900   -0.28589900
 H                 -2.59088900    7.47799200   -0.12747300
 C                 -1.81637200    9.00296800   -1.43146500
 C                 -0.77887100    9.91460900   -1.60416200
 H                 -0.76824600   10.55253700   -2.48647100
 C                  0.55121900   12.83646800    0.30819200
 H                 -0.33535000   12.19785000    0.35402400
 H                  0.47745000   13.45278900   -0.59524900
 C                  0.61636100   13.68442200    1.54329700
 C                  0.60560900   13.01257000    2.77864300
 C                  0.49811600   13.75818000    3.96802300
 C                  0.47332100   15.15043400    3.87708700
 H                  0.39350100   15.72459300    4.79967600
 C                  0.54126100   15.83550700    2.65993700
 C                  0.60090100   15.07611000    1.49183400
 H                  0.62127700   15.57136000    0.52255500
 O                  3.32915100   10.98399400    2.91216700
 C                  3.26482100   11.28459600    4.27655000
 C                  4.44570700   10.62053800    4.96619800
 H                  3.33128300   12.36832600    4.45466300
 H                  2.33835100   10.92714400    4.74273000
 C                 -0.77641000    7.44038000    1.90459000
 H                  0.14725700    6.85529900    1.97921300
 H                 -0.83124900    8.05409400    2.81176600
 H                 -1.62335700    6.74721600    1.90709100
 C                  0.39447300   13.06951300    5.30361000
 H                 -0.06120700   12.08079400    5.20111000
 H                  1.37863900   12.92917400    5.76659200
 H                 -0.21078100   13.66222900    5.99749500
 C                  0.55192700   17.34353600    2.62090100
 H                 -0.21450500   17.76738100    3.27965200
 H                  1.51809900   17.74520400    2.95191700
 H                  0.37050900   17.71705100    1.60795700
 C                 -2.94603400    8.89426400   -2.42523400
 H                 -3.15822200    7.84858200   -2.67554500
 H                 -3.87255400    9.32400400   -2.02390900
 H                 -2.71222200    9.42306700   -3.35491300
 C                  6.20909200    8.87119000   -0.17426300
 H                  6.39029600    8.82684900    0.90540200
 H                  5.42666500    8.13670600   -0.39788400
 H                  7.12569100    8.55639900   -0.68005300
 C                  7.09737800   13.02472100   -2.90614000
 H                  8.09750500   13.17384000   -2.48370100
 H                  7.22259000   12.48912800   -3.85447100
 H                  6.67462500   14.00900200   -3.12874400
 H                  4.41462800   10.75620900    6.04741400
 C                  5.79750700   10.98841700    4.35045300
 H                  5.78702200   11.94810600    3.83363400
 H                  6.61702600   10.95435400    5.07175700
 O                  5.99899500    9.95113800    3.37767200
 C                  5.10879800    8.97433200    3.59035700
 O                  4.37588400    9.20476300    4.68257900
 O                  5.00911700    8.00141600    2.88416100
 H                  4.24511300    9.61922200    1.31003200






