%chk=TS2.chk
%nprocshared=12
%mem=22GB
#p opt=(ts,calcfc,noeigentest) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.01811900   11.12715100    1.90755900
 N                  1.50506200   12.30823100    0.28099300
 O                  3.96449100   11.19696000    1.66709500
 O                  2.06040000    9.64758500    0.79732900
 O                  2.13486200   12.67830700    2.86307400
 C                  2.69619700   13.15557600   -0.04345900
 H                  2.90916800   13.77802900    0.82618500
 H                  2.42824000   13.82116500   -0.87255600
 C                  3.92481300   12.35838400   -0.42841500
 C                  4.51790100   11.41022600    0.40611000
 C                  5.65756300   10.69341000    0.03932100
 C                  6.21159300   10.95632900   -1.21120200
 H                  7.10003100   10.40467100   -1.51050600
 C                  5.66301600   11.89905000   -2.08255400
 C                  4.52008000   12.58161800   -1.67281800
 H                  4.06525300   13.31093300   -2.33883900
 C                  1.12361200   11.53335900   -0.93734400
 H                  2.05633900   11.22682900   -1.41716400
 H                  0.60110500   12.20314100   -1.63019700
 C                  0.32552100   10.29320100   -0.66632700
 C                  0.94940000    9.31480000    0.13333700
 C                  0.41745100    8.00933600    0.14605300
 C                 -0.78691500    7.77576200   -0.52154900
 H                 -1.20474900    6.76942100   -0.49214800
 C                 -1.47197300    8.76719400   -1.22901200
 C                 -0.87737300   10.02718500   -1.31307400
 H                 -1.34186500   10.80783100   -1.91375900
 C                  0.33716500   13.16105300    0.66208100
 H                 -0.47455200   12.46381500    0.90854700
 H                  0.01675500   13.71957300   -0.22704000
 C                  0.57608700   14.12848000    1.79219000
 C                  1.43697300   13.80021500    2.85311900
 C                  1.60053600   14.72317400    3.91354400
 C                  0.89379400   15.91927400    3.88862200
 H                  1.02418000   16.62051500    4.71241600
 C                  0.02895800   16.25935200    2.83951600
 C                 -0.10658700   15.34793400    1.79713100
 H                 -0.76200200   15.58577400    0.95998200
 O                  3.88775400    9.12312600    3.31135200
 C                  3.69120800    9.49715700    4.68822000
 C                  2.76852000    8.57122500    4.03506800
 H                  4.45313000    9.12226600    5.36782100
 H                  3.38008100   10.52925100    4.83158600
 C                  1.15560500    6.86880300    0.80216000
 H                  1.32940100    6.06191000    0.07991300
 H                  2.12541600    7.19952400    1.18169000
 H                  0.59005600    6.43604000    1.63581700
 C                  2.53534100   14.37340300    5.03880100
 H                  2.23669300   13.43758200    5.52566500
 H                  3.55839400   14.22201900    4.67368800
 H                  2.55394100   15.16362500    5.79603600
 C                 -0.73265000   17.56191900    2.85697100
 H                 -1.49938600   17.56820600    3.64196800
 H                 -0.06973000   18.41370700    3.04988400
 H                 -1.23743000   17.73956200    1.90165000
 C                 -2.78416400    8.46590700   -1.91074400
 H                 -2.67681300    7.67431000   -2.66251900
 H                 -3.54008200    8.12585900   -1.19270600
 H                 -3.18119300    9.35240500   -2.41574000
 C                  6.25846700    9.67050400    0.96772000
 H                  6.54246300   10.11212600    1.93067900
 H                  5.56366500    8.84613900    1.16992000
 H                  7.15884600    9.23769200    0.52499900
 C                  6.29785100   12.16559200   -3.42321600
 H                  7.26769400   12.66367100   -3.30649800
 H                  6.47547500   11.23235300   -3.96862300
 H                  5.66444800   12.80685300   -4.04355400
 H                  2.88799000    7.50697600    4.23626500
 C                  1.37173100    8.98868200    3.61534000
 H                  1.05310500    8.33900200    2.79310300
 H                  0.71732400    8.75509800    4.47154000
 O                  1.27815700   10.33183700    3.29984900
 H                  4.24434600   10.34486500    2.08556500





