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

Dimer

-1 1
 Al                 2.48332250   10.94581108    1.80390662
 N                  1.74515350   12.04768308    0.22221062
 O                  4.11883350   10.92926808    1.11635462
 O                  1.34333750    9.58321208    1.51163162
 O                  1.99600350   12.19142408    2.97456262
 C                  2.74441750   13.08036108   -0.17094238
 H                  2.93705850   13.69682508    0.71111162
 H                  2.29610850   13.72991708   -0.93162138
 C                  4.03400350   12.50250408   -0.68172538
 C                  4.65656550   11.45993208    0.01581562
 C                  5.87932150   10.94511508   -0.45545738
 C                  6.44563150   11.49542008   -1.59901538
 H                  7.39043750   11.09283608   -1.95721638
 C                  5.84029750   12.53731808   -2.30734938
 C                  4.62707150   13.02025308   -1.83231638
 H                  4.12208150   13.82199908   -2.36508038
 C                  1.49282450   11.14516908   -0.92760638
 H                  2.44207350   10.66454408   -1.17942238
 H                  1.19766650   11.75040908   -1.79268238
 C                  0.45516650   10.09100508   -0.66538738
 C                  0.47519650    9.32604108    0.50937362
 C                 -0.43502550    8.25900508    0.64275762
 C                 -1.36376750    8.03145108   -0.36720838
 H                 -2.06585450    7.21011708   -0.24640138
 C                 -1.42743150    8.81190508   -1.52140038
 C                 -0.49888850    9.83525908   -1.64973038
 H                 -0.50395450   10.45636208   -2.54148838
 C                  0.47343550   12.70965608    0.62473062
 H                 -0.21185650   11.92129408    0.94890462
 H                  0.03079150   13.18638208   -0.25748638
 C                  0.65408050   13.71927408    1.72213462
 C                  1.40594250   13.38343108    2.85446762
 C                  1.55913950   14.32670808    3.88774562
 C                  0.95167350   15.57009008    3.75879262
 H                  1.07734750   16.29530508    4.55946462
 C                  0.19711650   15.92337708    2.63661662
 C                  0.06579250   14.97917608    1.62548462
 H                 -0.50270350   15.22298708    0.73161062
 O                  3.26154855    9.87772112    3.41983311
 C                  3.21995899    9.82635360    5.67684635
 C                  3.02671705    8.86622504    4.48839749
 H                  4.14004730   10.14895021    6.11760584
 H                  2.50649388   10.50496024    6.09560711
 C                 -0.39425950    7.35713508    1.84373362
 H                  0.60287150    6.92701208    1.97300562
 H                 -0.64389450    7.88547108    2.76742662
 H                 -1.10467850    6.53611508    1.72700162
 C                  2.37189850   13.96550208    5.09880762
 H                  1.89126450   13.16670708    5.67269462
 H                  3.36212350   13.59818408    4.81399462
 H                  2.49556950   14.82806308    5.75739462
 C                 -0.44383650   17.28362008    2.53338862
 H                 -1.20489350   17.42547008    3.30764062
 H                  0.29447150   18.08225008    2.65502762
 H                 -0.92741750   17.41928208    1.56305562
 C                 -2.45397750    8.53540308   -2.58870538
 H                 -2.27300150    7.57072708   -3.07400438
 H                 -3.46370050    8.50079508   -2.16892238
 H                 -2.43655550    9.30630008   -3.36247638
 C                  6.53125450    9.81180808    0.28479162
 H                  6.74129950   10.08413508    1.32346862
 H                  5.87521950    8.93640708    0.31925462
 H                  7.46926750    9.52125208   -0.19355238
 C                  6.48803150   13.11098708   -3.54129638
 H                  7.42759450   13.61819408   -3.29859138
 H                  6.72288150   12.32875808   -4.26950138
 H                  5.83376850   13.83801408   -4.02817838
 H                  3.82977905    8.13655104    4.53716749
 C                  1.63941605    8.29173204    4.60454249
 H                  1.55452705    7.43888804    3.92294749
 H                  1.53414405    7.90820404    5.62389949
 O                  0.62638705    9.23660304    4.38333749
 H                  0.63320305    9.41282504    3.43091449
 O                  2.99275187    8.84662922    6.69341757
 C                  4.24223296    8.45996873    7.27150983
 H                  4.73386198    9.32337152    7.66867041
 H                  4.06860258    7.75519495    8.05766910
 H                  4.85916037    8.01202044    6.52074828
 C                  4.22362388   10.71872900    2.89571615
 O                  3.81252704   11.79522145    2.10974143
 O                  5.35988937   10.30086374    3.23902349
 






