%chk=Carbonate2.chk
%nprocshared=12
%mem=20GB
#p opt=(noeigentest) iop(1/8=10) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

-1 1
 Al                 3.06114600   10.77795300    1.88469900
 N                  1.87952100   12.08935600    0.39211600
 O                  4.55483700   11.38304700    1.12159400
 O                  2.28276600    9.36892900    1.09980900
 O                  2.32346000   11.81601100    3.15185500
 C                  2.76806900   13.15727100   -0.12806900
 H                  3.07872300   13.76362800    0.72669200
 H                  2.19568300   13.80814100   -0.80422700
 C                  3.98129800   12.61938400   -0.82947800
 C                  4.82119800   11.74248500   -0.13082200
 C                  5.97920800   11.24530300   -0.76062300
 C                  6.25676800   11.63548300   -2.06550800
 H                  7.15018600   11.24362600   -2.54705300
 C                  5.42600700   12.50301000   -2.78087700
 C                  4.28797000   12.98139700   -2.14027500
 H                  3.61586500   13.65273200   -2.66943500
 C                  1.39692300   11.27014900   -0.74252400
 H                  2.28022700   10.88501000   -1.25825300
 H                  0.85350600   11.91254100   -1.44985000
 C                  0.53387000   10.11848500   -0.31957100
 C                  1.06943900    9.19246300    0.58491400
 C                  0.32574100    8.04289000    0.91691700
 C                 -0.94376800    7.88382400    0.37064300
 H                 -1.51644200    6.99854600    0.63944500
 C                 -1.50679300    8.81525500   -0.50623300
 C                 -0.74268800    9.92788900   -0.84335600
 H                 -1.14125300   10.66629000   -1.53501600
 C                  0.70919800   12.70696100    1.06254400
 H                  0.08537500   11.88939900    1.43556400
 H                  0.11775500   13.26408000    0.32263400
 C                  1.09705000   13.60903200    2.19615500
 C                  1.92500700   13.08719500    3.19296500
 C                  2.31561700   13.89691600    4.27419700
 C                  1.85255900   15.20668000    4.32863600
 H                  2.15380300   15.83196400    5.16631200
 C                  1.01730800   15.74633200    3.34544000
 C                  0.65661000   14.92830600    2.27926300
 H                  0.01637600   15.31927200    1.49220000
 O                  2.13188200    9.30021700    4.09819600
 C                  1.71166700    9.45589000    6.48233700
 C                  1.30680400    8.81863600    5.15146900
 H                  2.79028600    9.34242200    6.63547000
 H                  1.46850500   10.52037100    6.44973200
 C                  0.93230700    7.00733000    1.82132000
 H                  1.42839000    7.47823200    2.67078500
 H                  0.17510500    6.30937100    2.18706900
 H                  1.69741200    6.42700700    1.29293100
 C                  3.21401600   13.31750700    5.32962400
 H                  2.73952600   12.46601400    5.82743100
 H                  4.14179800   12.93886900    4.88998400
 H                  3.46603400   14.06422600    6.08608400
 C                  0.53453000   17.17126900    3.44471300
 H                  0.00150400   17.34492800    4.38485700
 H                  1.36789100   17.88072300    3.41109200
 H                 -0.14533200   17.41666300    2.62530900
 C                 -2.89418000    8.61328000   -1.06101800
 H                 -2.98820600    7.64572900   -1.56417900
 H                 -3.64880600    8.63804800   -0.26782400
 H                 -3.14738100    9.39209400   -1.78446000
 C                  6.87262200   10.30435100   -0.00345300
 H                  7.27357100   10.77828700    0.89793200
 H                  6.31927300    9.42209200    0.33177200
 H                  7.71132300    9.97492700   -0.62141200
 C                  5.75424400   12.88845400   -4.20110500
 H                  6.74378500   13.35108600   -4.27270500
 H                  5.75816200   12.01535300   -4.86189800
 H                  5.02464300   13.60020700   -4.59525700
 H                  1.36700800    7.72747700    5.21525800
 C                 -0.08546600    9.25052500    4.71086400
 H                 -0.37142400    8.67608200    3.81957700
 H                 -0.80179800    9.03021200    5.50595200
 O                 -0.13634500   10.63972600    4.45183200
 H                  0.67339400   10.87070300    3.97086600
 O                  0.98980500    8.89876400    7.56111500
 C                  1.56640600    7.71291100    8.06249100
 H                  2.57347400    7.89689300    8.46178500
 H                  1.63421800    6.92437100    7.30223300
 C                  3.46220400    9.00581400    4.01377500
 O                  3.98143100    8.18181000    4.74017700
 O                  4.01808800    9.69831400    3.09049500
 C                  0.66367119    7.21203995    9.20520621
 C                  1.15321574    7.14518357   10.57950816
 O                  1.06804563    5.94517334    9.75152789
 H                 -0.41822184    7.27907419    8.98674884
 H                  2.18441446    7.45251547   10.83423550
 H                  0.45433319    7.15991062   11.43627886
 






