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

Dimer

0 1
 Al                 2.65910300   10.65543800    1.38474900
 N                  1.95921600   11.94558900   -0.04782500
 O                  4.39847200   10.84074300    0.90318900
 O                  1.99188700    9.21180000    0.48267800
 O                  2.50152300   12.01940500    2.63782100
 C                  3.07611600   12.83657300   -0.51914800
 H                  3.37899900   13.46126500    0.32382400
 H                  2.65411100   13.49589700   -1.28428700
 C                  4.26369400   12.11601200   -1.07678200
 C                  4.88091000   11.15067000   -0.28522400
 C                  6.04956200   10.51733700   -0.75549600
 C                  6.54986700   10.87155400   -2.00153200
 H                  7.45101800   10.37822500   -2.35958200
 C                  5.93415900   11.83190800   -2.81474100
 C                  4.78364700   12.44218500   -2.33016700
 H                  4.27788000   13.19437700   -2.93101900
 C                  1.40713400   11.23227700   -1.24944800
 H                  2.26365700   10.77319800   -1.74533600
 H                  0.98444800   11.98002300   -1.92778600
 C                  0.37434600   10.20505800   -0.90692500
 C                  0.76349600    9.18337300   -0.04364000
 C                 -0.13853700    8.14841900    0.26363400
 C                 -1.40533000    8.18320200   -0.30926700
 H                 -2.10609100    7.38639800   -0.06952500
 C                 -1.81778700    9.20904200   -1.16751400
 C                 -0.90799000   10.22224100   -1.45153900
 H                 -1.19185200   11.03540100   -2.11499600
 C                  0.81918600   12.75741900    0.47712900
 H                  0.02156300   12.07867900    0.79762300
 H                  0.43732900   13.32757400   -0.37392000
 C                  1.10536200   13.67397100    1.61889500
 C                  1.93072600   13.31602200    2.67255600
 C                  2.19615300   14.20975600    3.71127600
 C                  1.55752700   15.44624700    3.68437800
 H                  1.76147100   16.14138800    4.49286600
 C                  0.68228100   15.82006300    2.66901500
 C                  0.47798900   14.91652800    1.63737200
 H                 -0.16976000   15.18253500    0.80816400
 O                  4.76602900   11.92477500    6.24400700
 C                  3.97579100   10.87962900    6.82929000
 C                  5.36711700   10.65783300    6.45194000
 H                  3.72293300   11.02809000    7.87588600
 H                  3.18045800   10.49704200    6.19754500
 C                  0.28408500    7.06566200    1.21540700
 H                  1.17736400    6.54775000    0.85544400
 H                  0.53981700    7.48481900    2.19275400
 H                 -0.51173500    6.32943700    1.35209500
 C                  3.12031300   13.87883400    4.84071700
 H                  2.66557000   13.16357400    5.52938100
 H                  4.06468500   13.45605900    4.49639200
 H                  3.35136700   14.78260200    5.40606300
 C                 -0.00778800   17.15596100    2.69316800
 H                 -0.82144000   17.15823900    3.42522500
 H                  0.68621700   17.95235900    2.97335100
 H                 -0.43462500   17.39881900    1.71795700
 C                 -3.20115900    9.19920900   -1.76583300
 H                 -3.32162400    8.37291800   -2.47419900
 H                 -3.96899000    9.07942900   -0.99536300
 H                 -3.40563200   10.12867300   -2.30249500
 C                  6.70442900    9.47974000    0.11074500
 H                  6.97228600    9.89452300    1.08635400
 H                  6.02190500    8.64760600    0.30550900
 H                  7.60762900    9.08547500   -0.36187700
 C                  6.50118600   12.17342600   -4.16926900
 H                  7.56210100   12.43381200   -4.10302700
 H                  6.41959300   11.32931800   -4.86227800
 H                  5.97541700   13.02073600   -4.61632300
 H                  6.11622000   10.65114100    7.24276200
 C                  5.76587300    9.88762200    5.22007400
 H                  6.79164200   10.13909100    4.94094500
 H                  5.70380800    8.81763200    5.44544500
 O                  4.98024700   10.18294900    4.08478500
 C                  3.88225000    9.35272100    3.90105500
 O                  3.60683700    8.54724500    4.75929700
 O                  3.32914900    9.42029300    2.75624500
 H                  3.06318500   11.83251200    3.40744300
 






