%chk=Carbonate.chk
%nprocshared=8
%mem=22GB
#p opt=(noeigentest,modredundant) iop(1/8=1) b97d3/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 2.01254000   10.67331900    1.82052600
 N                  1.32117800   11.91845300    0.35250200
 O                  3.81778900   10.82982200    1.47184800
 O                  1.71899500    9.11581000    0.89055100
 O                  2.17645700   12.36318200    2.95549400
 C                  2.43590100   12.84612400   -0.09333000
 H                  2.67154000   13.49784500    0.76126900
 H                  2.04156500   13.48818200   -0.90025000
 C                  3.67853200   12.12592000   -0.56939900
 C                  4.32239800   11.16886500    0.25265600
 C                  5.53055500   10.56435800   -0.18418700
 C                  6.05995600   10.93356200   -1.42952200
 H                  6.99215600   10.46015300   -1.75917100
 C                  5.43477800   11.87649300   -2.26940100
 C                  4.23959100   12.45558300   -1.81793000
 H                  3.72537000   13.19174100   -2.44578100
 C                  0.87032500   11.12842900   -0.86519000
 H                  1.79969500   10.79505600   -1.35477100
 H                  0.35902400   11.82620300   -1.55100000
 C                  0.01088800    9.92604800   -0.57853300
 C                  0.54731000    8.91213400    0.25537200
 C                 -0.14776700    7.67854700    0.38259400
 C                 -1.37071100    7.52224100   -0.28877200
 H                 -1.90475300    6.57076700   -0.17764800
 C                 -1.93896200    8.53432400   -1.08985700
 C                 -1.22162700    9.73373100   -1.22651800
 H                 -1.61540800   10.53190000   -1.86661200
 C                  0.14959700   12.72399600    0.84561100
 H                 -0.62484900   11.99556300    1.13674600
 H                 -0.24940200   13.30032400   -0.00814900
 C                  0.41185200   13.68823700    1.98899600
 C                  1.36011300   13.48727700    3.00978800
 C                  1.49371400   14.40424100    4.07901700
 C                  0.65767200   15.53034600    4.09087200
 H                  0.76042000   16.23972200    4.91902500
 C                 -0.29926300   15.77156600    3.08802000
 C                 -0.40082900   14.83757400    2.04935900
 H                 -1.13189200   14.99890400    1.25024300
 O                  4.45516000   10.20619700    5.63529900
 C                  3.20568700   10.01234000    6.37718400
 C                  3.71327000    8.95372700    5.49411500
 H                  3.33612100    9.92103200    7.45992600
 H                  2.37399000   10.63844900    6.04179000
 C                  0.43182400    6.57349100    1.23083300
 H                  1.44530300    6.29354200    0.89574400
 H                  0.52656500    6.88039200    2.28656600
 H                 -0.20220800    5.67407200    1.19385200
 C                  2.48901800   14.17887500    5.19217300
 H                  2.32223500   13.21225100    5.69828500
 H                  3.52935300   14.17711600    4.82779000
 H                  2.39976000   14.97301000    5.94779800
 C                 -1.17434400   17.00433200    3.12829500
 H                 -1.71725000   17.08149600    4.08538000
 H                 -0.57640000   17.92632000    3.02411700
 H                 -1.91821600   16.99260700    2.31715600
 C                 -3.27503600    8.32890200   -1.77201700
 H                 -3.29771200    7.39034700   -2.35194400
 H                 -4.10115800    8.27205300   -1.04085000
 H                 -3.50237000    9.15597200   -2.46285400
 C                  6.21855200    9.54468800    0.69005100
 H                  6.48562700    9.96489400    1.67505200
 H                  5.56621300    8.67679500    0.88602300
 H                  7.14178900    9.18103100    0.21408500
 C                  6.04213100   12.25261000   -3.60337300
 H                  7.00055300   12.78617700   -3.47536700
 H                  6.25211000   11.36158800   -4.21918300
 H                  5.37080600   12.90918400   -4.17825200
 H                  4.22948200    8.10028600    5.95106400
 C                  3.11728600    8.61973300    4.14752300
 H                  3.90791700    8.42206900    3.40965600
 H                  2.49446100    7.71759100    4.25248100
 O                  2.30593100    9.68651100    3.59679800
 C                  0.83415100    9.64923700    3.79142500
 O                  0.34233300    8.98213200    4.67216500
 O                  0.37373800   10.41979200    2.87678600
 H                  4.53998700   11.44123200    4.41635100
 O                  4.54595300   12.12071200    3.68600300
 H                  4.61071200   11.57977400    2.85020900
 H                  3.14396700   12.42842000    3.39639500
 
 B 73 72 F
   
    


