%chk=Carbonate-Water.chk
%nprocshared=12
%mem=22GB
#p opt=(noeigentest) iop(1/8=1) freq=noraman bp86/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.01385100   10.67625200    1.83573800
 N                  1.32398100   11.91677800    0.35784600
 O                  3.81826300   10.83051900    1.47684300
 O                  1.70535600    9.11560600    0.91594800
 O                  2.17198900   12.37060000    2.95823400
 C                  2.43845700   12.84413300   -0.08961200
 H                  2.67381400   13.49746300    0.76384900
 H                  2.04336900   13.48469000   -0.89741700
 C                  3.68132900   12.12434700   -0.56512300
 C                  4.32403900   11.16773100    0.25796400
 C                  5.53248700   10.56248400   -0.17704600
 C                  6.06342400   10.93101800   -1.42191300
 H                  6.99597600   10.45738900   -1.75025600
 C                  5.43949400   11.87395900   -2.26280900
 C                  4.24380500   12.45350400   -1.81313000
 H                  3.73051900   13.18953000   -2.44191000
 C                  0.87720100   11.12244700   -0.85823600
 H                  1.80802200   10.78383600   -1.34152700
 H                  0.37196800   11.81852200   -1.55033400
 C                  0.01197500    9.92441800   -0.57126000
 C                  0.53847000    8.91322200    0.27206600
 C                 -0.16139200    7.68220700    0.39942000
 C                 -1.37891100    7.52581500   -0.28161900
 H                 -1.91653500    6.57636000   -0.17043000
 C                 -1.93719600    8.53532400   -1.09287900
 C                 -1.21540600    9.73205400   -1.22899700
 H                 -1.60125600   10.52814300   -1.87647800
 C                  0.15107400   12.72551700    0.84222100
 H                 -0.62694300   11.99965500    1.13001800
 H                 -0.24150100   13.30084700   -0.01526300
 C                  0.40820000   13.69156400    1.98527300
 C                  1.35382800   13.49323500    3.00895600
 C                  1.48189700   14.41031400    4.07867800
 C                  0.64351300   15.53467800    4.08763900
 H                  0.74170200   16.24423200    4.91619400
 C                 -0.31068100   15.77362700    3.08155200
 C                 -0.40707000   14.83922300    2.04275000
 H                 -1.13622500   14.99872700    1.24150300
 O                  4.49642900   10.18032600    5.60233500
 C                  3.26568900    9.97341100    6.37148700
 C                  3.74633500    8.93366500    5.45160900
 H                  3.42382400    9.85658500    7.44812300
 H                  2.42889700   10.61065000    6.07176600
 C                  0.40808200    6.57951600    1.25749000
 H                  1.42078900    6.29024400    0.92792000
 H                  0.50142300    6.89355900    2.31114200
 H                 -0.23171100    5.68404200    1.22491000
 C                  2.47313100   14.18542300    5.19551200
 H                  2.30490800   13.21841400    5.70051000
 H                  3.51485300   14.18431500    4.83500900
 H                  2.38061000   14.97921300    5.95111100
 C                 -1.18867300   17.00445200    3.11870200
 H                 -1.73251000   17.08228100    4.07519400
 H                 -0.59283500   17.92765500    3.01310200
 H                 -1.93189600   16.98944800    2.30700900
 C                 -3.26727700    8.32958700   -1.78642600
 H                 -3.28471100    7.39091500   -2.36639100
 H                 -4.09952800    8.27248200   -1.06230400
 H                 -3.48888900    9.15643000   -2.47936600
 C                  6.21906200    9.54355600    0.69918700
 H                  6.48800900    9.96582800    1.68281500
 H                  5.56485600    8.67776900    0.89825500
 H                  7.14104900    9.17648100    0.22340900
 C                  6.04894000   12.24987300   -3.59589900
 H                  7.00649600   12.78466300   -3.46639900
 H                  6.26116300   11.35871400   -4.21073600
 H                  5.37798800   12.90532700   -4.17249900
 H                  4.27110900    8.06867300    5.87618200
 C                  3.11467800    8.63121500    4.11361200
 H                  3.88687800    8.42985600    3.35689800
 H                  2.48350700    7.73456500    4.22076300
 O                  2.30855300    9.71622900    3.60034700
 C                  0.80016500    9.67448800    3.80288300
 O                  0.32609700    9.00653400    4.68866000
 O                  0.35193000   10.44031100    2.88678500
 H                  4.54439600   11.44256900    4.41110000
 O                  4.54071400   12.12977900    3.68760000
 H                  4.60541400   11.59389600    2.84827000
 H                  3.13890800   12.43461300    3.40286700 
 







