%chk=TS-CC.chk
%nprocshared=12
%mem=22GB
#p opt=(ts,calcfc,noeigentest) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.73813600    9.20151700    0.95930200
 N                  2.03221100   11.05012400    0.88415500
 O                  4.40610500    9.40520500    0.51655000
 O                  1.66012000    8.35160200   -0.10685100
 O                  1.28111700   12.23588400    4.59989500
 C                  3.22098700   11.96622200    1.01098500
 H                  3.62034900   11.81633500    2.01914300
 H                  2.86808200   12.99789700    0.94606700
 C                  4.29115400   11.73316800   -0.02556900
 C                  4.84875500   10.46011000   -0.20660100
 C                  5.87458400   10.25920300   -1.14439800
 C                  6.31485000   11.35049800   -1.88808500
 H                  7.10661000   11.19639600   -2.61960500
 C                  5.77067700   12.63093200   -1.73601300
 C                  4.75365000   12.79930300   -0.80081300
 H                  4.30485600   13.78087200   -0.66262000
 C                  1.45425800   11.15962500   -0.50467600
 H                  2.26966600   10.92950600   -1.19926800
 H                  1.17123400   12.19733600   -0.69112700
 C                  0.30157500   10.22433500   -0.73963400
 C                  0.47723500    8.84623300   -0.54374900
 C                 -0.57509700    7.95549100   -0.80716400
 C                 -1.78517300    8.47517700   -1.26158100
 H                 -2.60275100    7.78490700   -1.46296400
 C                 -1.99008300    9.84513000   -1.45719700
 C                 -0.93052600   10.70675500   -1.18365200
 H                 -1.05587700   11.77886000   -1.32311100
 C                  1.00013600   11.31287100    1.96941100
 H                  1.33572900   10.79874900    2.86892200
 H                  0.08358300   10.82208600    1.63296400
 C                  0.76239600   12.75834900    2.33999900
 C                  1.03055500   13.16982900    3.65768000
 C                  0.95621800   14.53434900    4.00202300
 C                  0.55405900   15.44917100    3.03604300
 H                  0.49180200   16.50257900    3.30543300
 C                  0.19335000   15.05508300    1.74162000
 C                  0.29907100   13.70646900    1.41880500
 H                  0.01218600   13.38554700    0.42158800
 O                  1.95080500    9.19764100    4.49833100
 C                  2.42404900    9.67860100    5.77076500
 C                 -0.37529300    6.48163500   -0.58491200
 H                  0.46375400    6.09985700   -1.17735000
 H                 -0.14495500    6.26775300    0.46547100
 H                 -1.27343900    5.92014300   -0.85911200
 C                  1.29445600   14.95563300    5.40690600
 H                  0.64633700   14.45194600    6.13420300
 H                  2.32606900   14.68806100    5.66571300
 H                  1.17765400   16.03580800    5.53289300
 C                 -0.29575700   16.06855400    0.73723800
 H                 -1.20407700   16.57220000    1.08844900
 H                  0.45524500   16.84729600    0.55823800
 H                 -0.52397900   15.59697000   -0.22377500
 C                 -3.31228100   10.36359400   -1.96419200
 H                 -3.42898200   10.17371400   -3.03844700
 H                 -4.15300500    9.87678800   -1.45755600
 H                 -3.40296600   11.44308400   -1.80731000
 C                  6.45281600    8.88328400   -1.32856700
 H                  6.88760700    8.50441900   -0.39657600
 H                  5.68023600    8.16659600   -1.63064000
 H                  7.23379700    8.88791000   -2.09442700
 C                  6.27331100   13.78214700   -2.57075800
 H                  7.34609300   13.94708000   -2.41624000
 H                  6.12654400   13.59233700   -3.64060200
 H                  5.75232500   14.71182700   -2.32147500
 H                  1.71208200   10.42283500    6.11034300
 C                  3.80730300   10.24143500    5.55127700
 O                  3.45436800   12.21693500    5.92649600
 H                  2.07760500   12.43005000    5.21738300
 H                  2.45454000    8.83436600    6.46275400
 C                  4.03235000   11.53619200    4.87861300
 H                  4.54515800    9.97773800    6.30199000
 H                  3.50906900   11.61961100    3.91355100
 H                  5.10181200   11.73688500    4.70874600
 O                  2.68374600    8.43953000    2.57495300
 C                  2.97893700    8.84933600    3.75064900
 O                  4.12908800    8.95126900    4.23188000
 







