%chk=Carbonate-Open.chk
%nprocshared=8
%mem=22GB
#p opt=(noeigentest) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.73872300    9.50120600    1.53089300
 N                  2.11693500   11.38063600    1.24091200
 O                  4.45273700    9.66032200    1.17286800
 O                  1.83276900    8.70201900    0.25311900
 O                  2.46399500   13.73622300    4.08198100
 C                  3.33077900   12.26389900    1.29675300
 H                  3.72346300   12.18690600    2.31144400
 H                  3.01827000   13.29596000    1.12255400
 C                  4.40633600   11.88442400    0.31350400
 C                  4.93775000   10.58901900    0.32816600
 C                  5.98772200   10.25089600   -0.54059200
 C                  6.47397600   11.22361600   -1.40609000
 H                  7.28467100   10.95938800   -2.08094100
 C                  5.95194600   12.51964900   -1.44876500
 C                  4.91350700   12.82881600   -0.57861000
 H                  4.48196500   13.82611900   -0.58541600
 C                  1.49902400   11.48471700   -0.12278300
 H                  2.30644400   11.31036400   -0.83839500
 H                  1.14848700   12.50907100   -0.27158900
 C                  0.39032200   10.49810600   -0.36378500
 C                  0.63347400    9.13101200   -0.17674700
 C                 -0.37663200    8.19517200   -0.45612100
 C                 -1.60105500    8.65579300   -0.92604700
 H                 -2.38094500    7.92922200   -1.14148600
 C                 -1.86490700   10.01348600   -1.12659200
 C                 -0.85211900   10.91984500   -0.83653200
 H                 -1.02209900   11.98176500   -0.99093800
 C                  1.13166200   11.73358300    2.32701000
 H                  1.55578500   11.37337200    3.26195500
 H                  0.23937700   11.13581000    2.13438700
 C                  0.75265900   13.18809400    2.43190500
 C                  1.42540400   14.07501700    3.28075300
 C                  1.03906400   15.42606200    3.34294100
 C                 -0.02277100   15.85600700    2.56168800
 H                 -0.31556900   16.90148700    2.61585200
 C                 -0.73276800   14.99099600    1.72439000
 C                 -0.32859700   13.66619700    1.68280300
 H                 -0.86996700   12.96349500    1.05779600
 O                  2.43373900    8.81132200    3.06232600
 C                  2.26060300    8.99752000    4.42230600
 C                 -0.10731700    6.73341800   -0.23939500
 H                  0.74906500    6.39676400   -0.83096800
 H                  0.13405700    6.52978200    0.80842600
 H                 -0.97578100    6.13158700   -0.51591800
 C                  1.77705600   16.36567000    4.25499300
 H                  1.70856300   16.03900700    5.29693100
 H                  2.84165600   16.40723700    4.00698000
 H                  1.36651600   17.37466900    4.18245400
 C                 -1.90372900   15.48430700    0.91592500
 H                 -2.73609200   15.77767600    1.56377500
 H                 -1.63275000   16.36073000    0.31964800
 H                 -2.26696700   14.71168200    0.23438900
 C                 -3.20778700   10.47011000   -1.63603700
 H                 -3.43725700   10.02084100   -2.60714400
 H                 -4.01036300   10.18403300   -0.94897700
 H                 -3.23799300   11.55584400   -1.75326100
 C                  6.54842700    8.85752600   -0.51307300
 H                  6.97696500    8.62312600    0.46607600
 H                  5.76722900    8.11515500   -0.70158100
 H                  7.32936600    8.73638800   -1.26685000
 C                  6.50165600   13.53813300   -2.41405200
 H                  7.57311500   13.69591000   -2.25682100
 H                  6.37020100   13.21381100   -3.45119700
 H                  6.00062800   14.50194400   -2.29809200
 H                  1.25624300    9.39291400    4.63479300
 C                  3.26150400    9.92240700    5.07232700
 O                  3.53053400   11.15605600    4.39428300
 H                  2.68299200   12.79418500    4.07721200
 H                  2.33585700    8.03370100    4.94296400
 C                  4.58922200   10.19092200    4.52697300
 H                  3.11856300   10.04005700    6.14465500
 H                  4.89036900    9.73248300    3.59007200
 H                  5.38713600   10.49204200    5.19886200
 O                  3.40746813    7.71558078    1.64234940
 C                  3.19580480    7.29195438    2.99299238
 O                  3.05989584    5.94050690    3.44022662






