%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                 2.14445500   10.96226800    2.04800800
 N                  1.63574100   12.02391000    0.20178200
 O                  3.72078900   10.60201700    1.19006600
 O                  1.11845000    9.53101700    1.60469300
 O                  0.92259500   12.01542900    2.89971900
 C                  2.73486900   12.93892200   -0.19833100
 H                  2.84520000   13.66749900    0.60880500
 H                  2.41786100   13.49455100   -1.09138600
 C                  4.06045500   12.27597600   -0.47409500
 C                  4.47977800   11.16849200    0.27549300
 C                  5.76045600   10.61833600    0.02973300
 C                  6.57283900   11.18721700   -0.93996600
 H                  7.55546800   10.75753200   -1.11577500
 C                  6.16609500   12.28852400   -1.70135200
 C                  4.90311400   12.81120300   -1.45057600
 H                  4.55317500   13.66546500   -2.02888100
 C                  1.44262600   10.98572200   -0.84708800
 H                  2.36909200   10.41657400   -0.91490100
 H                  1.28895000   11.48527600   -1.81342300
 C                  0.28843300   10.06060800   -0.57185900
 C                  0.19943000    9.37941000    0.65424000
 C                 -0.89827100    8.52285000    0.88434100
 C                 -1.84705100    8.35223200   -0.11612200
 H                 -2.68914800    7.69078300    0.07483600
 C                 -1.76752700    9.01083200   -1.34513400
 C                 -0.69302000    9.86963900   -1.54377000
 H                 -0.61009500   10.41284800   -2.48012700
 C                  0.38842300   12.82662200    0.31712500
 H                 -0.42800700   12.12193600    0.48328800
 H                  0.20205300   13.33435400   -0.63851600
 C                  0.41672700   13.80986300    1.44773900
 C                  0.65954100   13.29906600    2.72993800
 C                  0.60572900   14.16935500    3.83754700
 C                  0.32653200   15.51442700    3.62511700
 H                  0.29192000   16.18248500    4.48369000
 C                  0.10060500   16.04150700    2.34786000
 C                  0.15223100   15.16586200    1.26761000
 H                 -0.02483800   15.54029100    0.26329200
 O                  2.89710200   10.46637100    3.64557200
 C                  3.42997500    9.18108600    5.54304800
 C                  3.65700100    9.36020800    4.03804500
 H                  3.61735200   10.13922800    6.04597700
 H                  2.38216300    8.90970200    5.69618900
 C                 -1.02542700    7.81220300    2.20228600
 H                 -0.25002500    7.05128600    2.32518600
 H                 -0.91640400    8.51161200    3.03771700
 H                 -1.99754600    7.32318200    2.28835900
 C                  0.86172800   13.61537400    5.20984900
 H                  0.11973400   12.85649400    5.47668600
 H                  1.83604400   13.11985800    5.25812100
 H                  0.83397700   14.40425600    5.96740100
 C                 -0.18180000   17.51099000    2.16204300
 H                 -1.05668000   17.82861900    2.73857400
 H                  0.66200400   18.12714400    2.49019700
 H                 -0.37528600   17.74330200    1.11149600
 C                 -2.81084200    8.79055200   -2.41052300
 H                 -2.67687500    7.82337000   -2.90733100
 H                 -3.81959600    8.79971600   -1.98760400
 H                 -2.76107700    9.56548200   -3.17944200
 C                  6.19717600    9.43620800    0.84757300
 H                  6.12456900    9.65552600    1.91763300
 H                  5.55208900    8.57065200    0.66845600
 H                  7.22788100    9.15559900    0.61701200
 C                  7.07613200   12.88039200   -2.74815400
 H                  7.99196700   13.28247400   -2.30189700
 H                  7.37991600   12.13129400   -3.48635200
 H                  6.58375800   13.69608000   -3.28364100
 H                  4.72878800    9.54609700    3.85768200
 C                  3.32184100    8.08245500    3.27846800
 H                  3.55834900    8.23651500    2.21712700
 H                  3.95771000    7.27800500    3.66119500
 O                  1.97831200    7.67940700    3.43889500
 H                  1.46507300    8.29870600    2.89727200
 O                  4.19953100    8.15172900    6.13842900
 C                  5.55160300    8.49210300    6.32295600
 H                  5.65664400    9.41925900    6.90590800
 H                  6.01915700    7.67687000    6.87789000
 H                  6.09017600    8.61860600    5.37470700
 C                  4.15531400   12.21678700    3.75290800
 O                  3.60928000   12.83652200    2.92070500
 O                  4.91601600   11.91180400    4.58124400
 






