%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                 2.13826100   10.95934000    2.05921900
 N                  1.62857200   12.01622600    0.20562700
 O                  3.71613800   10.60042000    1.20444300
 O                  1.10563000    9.53065200    1.60635700
 O                  0.92159600   12.02007600    2.90728500
 C                  2.72682500   12.93372400   -0.19081300
 H                  2.83313700   13.66284200    0.61667900
 H                  2.41194300   13.48847200   -1.08544400
 C                  4.05433600   12.27406100   -0.46178500
 C                  4.47565000   11.16851600    0.29138500
 C                  5.75718000   10.62120400    0.04791400
 C                  6.56903600   11.18922300   -0.92263300
 H                  7.55349600   10.76064400   -1.09612000
 C                  6.16109700   12.28841800   -1.68676800
 C                  4.89679100   12.80882400   -1.43883500
 H                  4.54627700   13.66034000   -2.01905400
 C                  1.43879600   10.98130800   -0.84602400
 H                  2.36552400   10.41017700   -0.91121300
 H                  1.28938400   11.48218700   -1.81171500
 C                  0.28233400   10.05841600   -0.57477200
 C                  0.18834600    9.38009000    0.65221800
 C                 -0.91146300    8.52460300    0.87658100
 C                 -1.85809300    8.35656200   -0.12726900
 H                 -2.70154400    7.69596300    0.06087800
 C                 -1.77354700    9.01432700   -1.35594300
 C                 -0.69621700    9.87031100   -1.55038500
 H                 -0.60761000   10.41342900   -2.48756500
 C                  0.38079900   12.81694600    0.32068200
 H                 -0.43405200   12.11115400    0.49350500
 H                  0.19061200   13.31908400   -0.63720000
 C                  0.41252500   13.80675900    1.44552900
 C                  0.66360100   13.30421400    2.72980700
 C                  0.61737500   14.18325200    3.83122500
 C                  0.33573800   15.52631800    3.60991300
 H                  0.30698600   16.20068800    4.46363000
 C                  0.10010200   16.04463200    2.33138000
 C                  0.14603100   15.16117800    1.25743500
 H                 -0.03702700   15.52831000    0.25055200
 O                  2.89313500   10.45824900    3.65653400
 C                  3.44049700    9.15416000    5.54005300
 C                  3.65177900    9.34453100    4.03483600
 H                  3.61958500   10.11253300    6.04577800
 H                  2.39958700    8.86484500    5.70318300
 C                 -1.04569500    7.81348700    2.19361800
 H                 -0.27144100    7.05099600    2.31893400
 H                 -0.93978900    8.51188800    3.02962400
 H                 -2.01887200    7.32468600    2.27453600
 C                  0.88454700   13.64032800    5.20578200
 H                  0.14588900   12.88194000    5.48399800
 H                  1.86045600   13.14755100    5.24979300
 H                  0.86115900   14.43456500    5.95667500
 C                 -0.18577700   17.51242700    2.13589500
 H                 -1.05709200   17.83298500    2.71623200
 H                  0.65935200   18.13215900    2.45367300
 H                 -0.38613600   17.73715300    1.08514100
 C                 -2.81333300    8.79624600   -2.42539800
 H                 -2.67984900    7.82867800   -2.92163800
 H                 -3.82372500    8.80787600   -2.00643600
 H                 -2.75889200    9.57089300   -3.19431900
 C                  6.19502800    9.44104100    0.86785300
 H                  6.12234200    9.66205200    1.93757900
 H                  5.55134200    8.57375700    0.68965100
 H                  7.22588500    9.16090900    0.63749800
 C                  7.07119600   12.87989900   -2.73374900
 H                  7.98572500   13.28476600   -2.28730400
 H                  7.37734300   12.12988900   -3.47003900
 H                  6.57780000   13.69347300   -3.27151000
 H                  4.72035500    9.53760200    3.84803100
 C                  3.32272900    8.06541900    3.27029900
 H                  3.54343600    8.22710900    2.20728300
 H                  3.97778000    7.27048600    3.64078800
 O                  1.99052700    7.63111400    3.44687200
 H                  1.45512800    8.23702400    2.91149400
 O                  4.23518700    8.13511300    6.11928300
 C                  5.58428700    8.49819300    6.28338700
 H                  5.68356600    9.42484000    6.86768000
 H                  6.10536800    8.63746200    5.32721800
 C                  4.18516400   12.24212200    3.80359200
 O                  3.60283300   12.91233300    3.03720700
 O                  4.91370500   11.92939900    4.65581100
 C                  6.27748135    7.35690887    7.05055852
 C                  6.54983254    7.46587281    8.48121613
 O                  7.60594271    7.67970816    7.49544964
 H                  6.19928253    6.37030391    6.55739999
 H                  6.26518253    8.37059732    9.04968570
 H                  6.68471618    6.56451919    9.10737728
 






