%chk=Ensemble.chk
%nprocshared=12
%mem=22GB
#p opt=(noeigentest) freq=noraman iop(1/8=10) wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

-1 1
 Al                 2.01528500   10.89363600    2.30653000
 N                  1.57153400   11.98705100    0.37283300
 O                  3.75496400   11.02547900    1.81927300
 O                  0.95352600    9.56687200    1.64159700
 O                  1.20766700   12.26782800    3.14427600
 C                  2.66428000   12.94072400    0.05894900
 H                  2.75463200   13.62123100    0.90887900
 H                  2.37695200   13.54064800   -0.81640500
 C                  3.98557300   12.28107100   -0.18747500
 C                  4.46572800   11.36036600    0.75256800
 C                  5.74426900   10.79417000    0.57006000
 C                  6.48572800   11.14349800   -0.55161800
 H                  7.46894400   10.69749200   -0.68693200
 C                  6.01127500   12.04290800   -1.51069500
 C                  4.75338900   12.59958000   -1.30852500
 H                  4.35445900   13.30681200   -2.03199900
 C                  1.45229000   11.01172400   -0.73601500
 H                  2.38304700   10.43776900   -0.76360900
 H                  1.37826000   11.55371200   -1.68896900
 C                  0.28452800   10.08199000   -0.58759600
 C                  0.11561800    9.39261500    0.62057500
 C                 -0.97157600    8.50796700    0.75932400
 C                 -1.84868600    8.34510600   -0.30717500
 H                 -2.68790600    7.66314300   -0.18823400
 C                 -1.69671900    9.02823400   -1.51599200
 C                 -0.62075600    9.89850600   -1.63113900
 H                 -0.47595300   10.45691400   -2.55299100
 C                  0.30326300   12.74040100    0.50508500
 H                 -0.47722200   12.01809200    0.76547300
 H                  0.03513400   13.17287600   -0.46814800
 C                  0.36353500   13.82099100    1.54486700
 C                  0.80945100   13.48991000    2.83371300
 C                  0.82059800   14.48978700    3.82886100
 C                  0.41439400   15.77818200    3.50389600
 H                  0.43764600   16.54255700    4.27440600
 C                 -0.02067700   16.12362500    2.21990800
 C                 -0.03558800   15.12377600    1.25404000
 H                 -0.36312600   15.35777200    0.24501700
 O                  2.36543000   10.01085100    3.82567700
 C                  3.30891200    8.66638600    5.50059000
 C                  3.38524300    9.09527500    4.03448500
 H                  3.35761400    9.56515300    6.13313500
 H                  2.34964800    8.17147300    5.66874000
 C                 -1.16215800    7.75700100    2.04715500
 H                 -0.40026000    6.97690800    2.16430800
 H                 -1.07048800    8.42400800    2.90942600
 H                 -2.14167000    7.27459900    2.07782800
 C                  1.26538500   14.12424800    5.21729700
 H                  0.51940700   13.46886300    5.70952700
 H                  2.21134700   13.55279200    5.19335100
 H                  1.39927600   15.02825400    5.83311600
 C                 -0.45714800   17.53381000    1.90740700
 H                 -1.38124100   17.79149600    2.43186300
 H                  0.29957400   18.26340200    2.20888600
 H                 -0.63656600   17.66384500    0.83728200
 C                 -2.66989800    8.81770900   -2.65054400
 H                 -2.52883200    7.83911100   -3.12227300
 H                 -3.70604800    8.86210200   -2.30196500
 H                 -2.54354500    9.57829400   -3.42519400
 C                  6.27265900    9.83377900    1.59832700
 H                  6.28708900   10.29455300    2.59041100
 H                  5.63708000    8.94702500    1.67903100
 H                  7.28667600    9.50838200    1.34957200
 C                  6.84456900   12.39632300   -2.72009900
 H                  7.76305600   12.91905400   -2.43297100
 H                  7.14277400   11.49807500   -3.27211300
 H                  6.29218800   13.04240700   -3.40352600
 H                  4.36835900    9.55064700    3.84678600
 C                  3.26652600    7.88301500    3.10543400
 H                  3.53757500    8.18659700    2.08433000
 H                  3.96367600    7.09978900    3.42033700
 O                  1.96365200    7.33555000    3.12668800
 H                  1.39913000    8.06480400    2.83345600
 O                  4.30234300    7.73386500    5.90483900
 C                  5.60828300    8.25833600    5.91979400
 H                  5.63869700    9.24150200    6.41250500
 H                  6.00744900    8.38292500    4.90328300
 C                  4.70737000   12.93748400    3.69561500
 O                  4.35441700   13.77738300    2.98321000
 O                  5.09855500   12.15520000    4.45183700
 C                  6.47840300    7.29628800    6.68055000
 C                  6.75414900    7.48610100    8.10165000
 O                  7.73013900    7.81647800    7.11054400
 H                  6.52378000    6.28746300    6.27391100
 H                  6.31059300    8.33573600    8.61589700
 H                  6.99328300    6.62742300    8.72260200
 






