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

Dimer

0 1
 Al                 2.80997200   10.98976000   -1.85153100
 N                  1.91641900   11.94240400   -0.25848100
 O                  4.45088400   11.19041800   -1.26329700
 O                  1.97263600    9.33663400   -1.18034800
 O                  2.08595000   12.06997800   -3.03352300
 C                  2.83742100   13.05980700    0.13118800
 H                  2.98313500   13.68074300   -0.75722600
 H                  2.32829400   13.67459800    0.88020600
 C                  4.16312300   12.58554300    0.65339400
 C                  4.91736000   11.68502200   -0.10437100
 C                  6.18483400   11.27996200    0.34666200
 C                  6.65499600   11.78684900    1.55267200
 H                  7.63630900   11.47136600    1.90149300
 C                  5.91283500   12.67693900    2.33364600
 C                  4.66305000   13.06215900    1.86448000
 H                  4.05768200   13.75204100    2.44650400
 C                  1.70102800   11.07501700    0.93859100
 H                  2.66404500   10.63675300    1.21035500
 H                  1.37591200   11.70660900    1.76998100
 C                  0.69381500    9.98777300    0.70082900
 C                  0.86069500    9.10708200   -0.35311700
 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                  0.59681200   12.52284000   -0.67172100
 H                 -0.03758300   11.69059900   -0.98894800
 H                  0.13210000   12.97398400    0.21117000
 C                  0.68993900   13.53400400   -1.77800700
 C                  1.41329800   13.22614000   -2.93178700
 C                  1.44694000   14.12930600   -4.00535900
 C                  0.75036000   15.32660900   -3.88674100
 H                  0.77687500   16.02775300   -4.71663800
 C                  0.02476700   15.66082200   -2.73919600
 C                  0.01323900   14.74959700   -1.68974800
 H                 -0.53754000   14.97895600   -0.78138700
 O                  3.27631800    9.72917400   -3.19794600
 C                  3.65311300    9.99817400   -4.56873500
 C                  2.46122500    9.18701000   -4.48567700
 H                  4.59717300    9.54104100   -4.84421800
 H                  3.53566800   11.04011700   -4.85083600
 C                  0.22627300    7.13130500   -1.79055000
 H                  1.19757600    6.62599800   -1.72078800
 H                  0.18323800    7.65496200   -2.75117500
 H                 -0.53623800    6.35244300   -1.80792000
 C                  2.23275400   13.78105000   -5.23714500
 H                  1.85785300   12.86192900   -5.69871300
 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                  7.15832400   10.71075700   -1.48724300
 H                  6.47324000    9.36305800   -0.59484400
 H                  7.96366200   10.13054500   -0.01836100
 C                  6.45657400   13.19229800    3.64145100
 H                  7.41621100   13.69909200    3.50036800
 H                  6.62277000   12.37703300    4.35283900
 H                  5.76681200   13.90307700    4.10239300
 H                  2.58488000    8.11283400   -4.45345000
 C                  1.04693100    9.71945200   -4.59862800
 H                  1.06510200   10.70290300   -5.07694100
 H                  0.60724600    9.83573300   -3.60459000
 O                  0.21747500    8.82179800   -5.28826400
 C                  0.77278500    8.39711600   -6.53658600
 O                  1.96525400    8.72835400   -6.69493000
 O                  0.00028300    7.76657800   -7.24257000
 H                  2.22831100    8.54607700   -1.67864400
 






