%chk=TS-Ins-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                 1.99889700   10.72448600    2.06620800
 N                  1.33203400   11.82084500    0.37292800
 O                  3.75100300   10.88605100    1.52278500
 O                  1.06582800    9.27581700    1.52382200
 O                  1.46642200   12.05882200    3.15266600
 C                  2.35663100   12.85389900    0.00414800
 H                  2.52159300   13.46943800    0.89589800
 H                  1.94003800   13.50438700   -0.77745300
 C                  3.64860900   12.24360500   -0.46281300
 C                  4.28805800   11.27525100    0.33486000
 C                  5.50673900   10.69857300   -0.09277200
 C                  6.05299400   11.11500700   -1.31322600
 H                  6.99060500   10.66578200   -1.64307700
 C                  5.43166000   12.07681600   -2.12846100
 C                  4.22157100   12.62396900   -1.68469600
 H                  3.70480800   13.36262500   -2.29765200
 C                  1.11069300   10.91063100   -0.80254800
 H                  2.06931100   10.41652200   -1.00046100
 H                  0.86534600   11.52500200   -1.68055000
 C                  0.04131200    9.88430900   -0.56176800
 C                  0.10538400    9.09254600    0.60512900
 C                 -0.86301400    8.07656500    0.81302200
 C                 -1.86954000    7.89798600   -0.14326500
 H                 -2.61528200    7.11914700    0.02441300
 C                 -1.96110600    8.69165400   -1.30177200
 C                 -0.99086400    9.68403700   -1.48937900
 H                 -1.03143600   10.31919800   -2.37496200
 C                  0.03479200   12.50310400    0.70369100
 H                 -0.66327500   11.71203200    1.00606500
 H                 -0.36435700   12.95907400   -0.21360800
 C                  0.15177500   13.53883500    1.78705100
 C                  0.84548500   13.23064100    2.97825800
 C                  0.89197900   14.19101000    4.02402300
 C                  0.25056000   15.42126000    3.84388300
 H                  0.29022200   16.15215200    4.65322400
 C                 -0.43634400   15.74863200    2.65998600
 C                 -0.46679800   14.78931600    1.64083500
 H                 -0.98801700   15.00943700    0.70842000
 O                  5.62648700   10.01499200    5.38388400
 C                  4.31391900    9.73230700    5.92116600
 C                  4.14287100    8.63231200    4.95112100
 H                  4.38890400    9.41241400    6.96127000
 H                  3.61543000   10.56310000    5.80036500
 C                 -0.78655300    7.22763000    2.05599500
 H                  0.18261900    6.71494200    2.12964900
 H                 -0.87817400    7.84052800    2.96202300
 H                 -1.58027700    6.47168000    2.06368100
 C                  1.62678900   13.86022800    5.29724100
 H                  1.23423500   12.94383200    5.75785400
 H                  2.69380400   13.67471000    5.10812300
 H                  1.54699500   14.67814400    6.02257100
 C                 -1.12037700   17.08789700    2.50490300
 H                 -1.94203100   17.20653000    3.22617000
 H                 -0.42357700   17.92041100    2.67620300
 H                 -1.54158700   17.20376200    1.49916400
 C                 -3.06894300    8.47057400   -2.30653100
 H                 -2.96895400    7.49856200   -2.81141100
 H                 -4.05644400    8.48056200   -1.82492900
 H                 -3.06291500    9.24824900   -3.07943400
 C                  6.18448300    9.64822100    0.74975400
 H                  6.45688800   10.03529100    1.74074200
 H                  5.52616100    8.78430200    0.91324800
 H                  7.09982300    9.29291700    0.26404200
 C                  6.05698800   12.49903100   -3.43759100
 H                  7.00204900   13.03690700   -3.27427400
 H                  6.28788800   11.63060300   -4.06955300
 H                  5.38995900   13.16086200   -4.00204600
 H                  4.66629200    7.70195800    5.17151700
 C                  3.60472900    8.82074000    3.59311900
 H                  4.42821100    9.13167100    2.92734700
 H                  3.29377400    7.83447700    3.20743500
 O                  2.57690900    9.75534200    3.60587800
 C                  1.32683100    9.06672800    4.93214400
 O                  1.99836400    8.23758500    5.50622400
 O                  0.30630600    9.64700700    4.80147000
 H                  5.48452800   10.71714700    4.66714900
 O                  5.15191200   11.88531800    3.60062700
 H                  4.65845500   11.50980200    2.82408300
 H                  4.52914800   12.51958400    3.98555700 
 






