%chk=Carbonate-Isom.chk
%nprocshared=8
%mem=20GB
#p opt=(noeigentest) iop(1/8=10) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.79097200   11.00116000   -1.82873100
 N                  1.91641900   11.94240400   -0.25848100
 O                  4.44328400   11.17901800   -1.27469700
 O                  1.97643600    9.33663400   -1.18414800
 O                  2.08975000   12.06617800   -3.03352300
 C                  2.83742100   13.05980700    0.13118800
 H                  2.97933500   13.68454300   -0.75722600
 H                  2.32829400   13.67459800    0.88020600
 C                  4.16312300   12.58174300    0.64959400
 C                  4.91356000   11.68122200   -0.10817100
 C                  6.18103400   11.27616200    0.34286200
 C                  6.65119600   11.78684900    1.54887200
 H                  7.63630900   11.47136600    1.89769300
 C                  5.91283500   12.67693900    2.32984600
 C                  4.66305000   13.05835900    1.86068000
 H                  4.05768200   13.75204100    2.43890400
 C                  1.70102800   11.07501700    0.94239100
 H                  2.66404500   10.63675300    1.21415500
 H                  1.37591200   11.70660900    1.76998100
 C                  0.69381500    9.98777300    0.70082900
 C                  0.85689500    9.11088200   -0.34931700
 C                 -0.00627800    8.06070600   -0.63150700
 C                 -1.09863800    7.91863000    0.22447500
 H                 -1.79670200    7.10860400    0.03753800
 C                 -1.32556000    8.78307400    1.29291000
 C                 -0.41729800    9.81777100    1.51617600
 H                 -0.57329300   10.50755200    2.33956800
 C                  0.59301200   12.52284000   -0.67172100
 H                 -0.04138300   11.69059900   -0.98514800
 H                  0.13210000   12.97778400    0.21117000
 C                  0.68993900   13.53400400   -1.77800700
 C                  1.41329800   13.22614000   -2.93178700
 C                  1.44694000   14.12550600   -4.00535900
 C                  0.75036000   15.32660900   -3.88674100
 H                  0.77687500   16.02395300   -4.71663800
 C                  0.02476700   15.66082200   -2.73919600
 C                  0.01323900   14.74959700   -1.68974800
 H                 -0.53754000   14.97895600   -0.78138700
 O                  3.20411800    9.69497400   -3.26254600
 C                  3.70251300   10.02477400   -4.63333500
 C                  2.51442500    9.24021000   -4.21967700
 H                  4.64277300    9.54104100   -4.85561800
 H                  3.56606800   11.07051700   -4.87363600
 C                  0.22627300    7.13510500   -1.79055000
 H                  1.19757600    6.62219800   -1.72078800
 H                  0.18703800    7.66256200   -2.75117500
 H                 -0.53623800    6.35624300   -1.81172000
 C                  2.23275400   13.78105000   -5.23714500
 H                  1.85785300   12.86192900   -5.70251300
 H                  3.28613700   13.60721600   -4.99699600
 H                  2.17675200   14.58214800   -5.97722400
 C                 -0.71827700   16.96913600   -2.65476500
 H                 -1.50194300   17.02819700   -3.41653900
 H                 -0.04669200   17.81813800   -2.81461600
 H                 -1.19147500   17.09353600   -1.67802200
 C                 -2.53939000    8.63084500    2.16925800
 H                 -2.29265100    8.79888400    3.22034400
 H                 -2.97733700    7.63545300    2.07153100
 H                 -3.30623500    9.36101200    1.89170300
 C                  6.99192300   10.32009100   -0.47926900
 H                  7.16212400   10.70695700   -1.48724300
 H                  6.47704000    9.35925800   -0.59484400
 H                  7.96366200   10.13054500   -0.01836100
 C                  6.45657400   13.19229800    3.63765100
 H                  7.41621100   13.69909200    3.49656800
 H                  6.62277000   12.37703300    4.34903900
 H                  5.76681200   13.90307700    4.09859300
 H                  2.62288000    8.14703400   -4.42305000
 C                  1.06593100    9.72705200   -4.57582800
 H                  1.12590200   10.69150300   -5.09594100
 H                  0.54264600    9.90033300   -3.61979000
 O                  0.26307500    8.81799800   -5.27306400
 C                  0.79558500    8.39331600   -6.57838600
 O                  1.95005400    8.72835400   -6.79753000
 O                 -0.03771700    7.75517800   -7.22737000
 H                  2.26251100    8.50047700   -1.59884400
 






