%chk=Carbonate2.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                 3.28041800   10.56906400    1.82496600
 N                  2.03562000   11.85986400    0.58615500
 O                  4.78040900   10.97727000    0.93254500
 O                  2.56619600    9.14872100    0.94418800
 O                  3.10546400   11.83527300    3.11228900
 C                  2.90464500   12.96125400    0.09159700
 H                  3.29828400   13.48095900    0.96765800
 H                  2.28885100   13.67728500   -0.46767000
 C                  4.04335800   12.48345800   -0.76805100
 C                  4.93164400   11.51473400   -0.27069500
 C                  6.02369400   11.11445000   -1.06984900
 C                  6.19129200   11.68286800   -2.32645800
 H                  7.03664100   11.36342100   -2.93251400
 C                  5.31066400   12.63933500   -2.84008700
 C                  4.24000400   13.02099100   -2.03998400
 H                  3.53198500   13.75979500   -2.40797900
 C                  1.45151300   11.15030400   -0.58039000
 H                  2.28545600   10.83947900   -1.21391800
 H                  0.83727600   11.85370700   -1.15731300
 C                  0.65547600    9.93911300   -0.19879100
 C                  1.31986300    8.95375900    0.54716000
 C                  0.65134500    7.74834300    0.84502800
 C                 -0.65980100    7.58346500    0.40685000
 H                 -1.17440500    6.65614600    0.64885200
 C                 -1.34231800    8.56736000   -0.31401500
 C                 -0.66036200    9.74492000   -0.60889900
 H                 -1.15744500   10.52975900   -1.17393700
 C                  0.91676700   12.41334900    1.39636300
 H                  0.36706800   11.55908900    1.80451100
 H                  0.23171100   12.95501500    0.73113600
 C                  1.34041600   13.31411800    2.52044400
 C                  2.41400400   12.93368800    3.33731100
 C                  2.75728700   13.74346300    4.44106900
 C                  2.02124500   14.89426500    4.69190100
 H                  2.28883800   15.50659100    5.55059300
 C                  0.95325600   15.29199300    3.88133700
 C                  0.63424500   14.48433600    2.79507200
 H                 -0.19007500   14.76314100    2.14250600
 O                  1.90230100    9.35558300    3.73278500
 C                  1.50175805    9.99299857    6.00360820
 C                  0.90972600    9.33489400    4.75649800
 H                  2.45238239    9.50337903    6.25239578
 H                  1.70419568   11.04368235    5.78982107
 C                  1.37304500    6.68287200    1.61934700
 H                  1.78725800    7.09312200    2.54327800
 H                  0.70442400    5.85460600    1.86612200
 H                  2.21650100    6.28266600    1.04704100
 C                  3.90478100   13.32404900    5.31496400
 H                  3.80078500   12.27950200    5.62361900
 H                  4.85724300   13.39238900    4.77841200
 H                  3.97032500   13.95034000    6.20815700
 C                  0.19758500   16.56529700    4.16623600
 H                 -0.02407600   16.66820800    5.23259300
 H                  0.77433200   17.44884700    3.87022700
 H                 -0.74977200   16.59382500    3.62182300
 C                 -2.77750800    8.36224200   -0.72605000
 H                 -2.92422400    7.38188200   -1.18913300
 H                 -3.45041200    8.41754600    0.13657100
 H                 -3.09628000    9.12326900   -1.44251300
 C                  6.97739300   10.08348300   -0.53546600
 H                  7.45843900   10.42898800    0.38485600
 H                  6.45505600    9.15574400   -0.28298100
 H                  7.75647900    9.85458600   -1.26656400
 C                  5.52016700   13.22457400   -4.21367200
 H                  6.48822500   13.73013900   -4.29097800
 H                  5.50020200   12.44857900   -4.98583400
 H                  4.74332000   13.95428300   -4.45462100
 H                  0.64545435    8.29494960    4.96252597
 C                 -0.32248781   10.05814396    4.24376401
 H                 -0.73610682    9.51202028    3.38755533
 H                 -1.06851794   10.05252353    5.04226091
 O                 -0.08381376   11.41299645    3.90783186
 H                  0.30306715   11.42142938    3.02702365
 O                  0.62031734    9.96439333    7.10579143
 C                  0.57384249    8.71498864    7.75708003
 H                  1.57627468    8.39176687    8.07104474
 H                 -0.04988025    8.83503926    8.64480181
 H                  0.13588429    7.92759714    7.13021337
 C                  3.21631400    9.09194600    4.08133100
 O                  3.49571900    8.58977600    5.14977700
 O                  4.00689100    9.42907900    3.13644400
 






