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

Dimer

0 1
 Al                 2.73774900   11.09978900   -1.87507600
 N                  1.85520700   12.00406200   -0.28193800
 O                  4.39244700   11.26537400   -1.31160100
 O                  1.90880600    9.42183600   -1.30881000
 O                  1.99803700   12.16088800   -3.05799800
 C                  2.78711500   13.09665900    0.16394500
 H                  2.93535600   13.76380800   -0.68869300
 H                  2.28067200   13.67057300    0.94546100
 C                  4.10846100   12.58571000    0.66092500
 C                  4.85545100   11.70821400   -0.13022100
 C                  6.11620300   11.26799900    0.30319200
 C                  6.59416400   11.72399500    1.52538400
 H                  7.56957700   11.38242000    1.86074900
 C                  5.86404600   12.59621600    2.33850400
 C                  4.61697500   13.01281100    1.88710700
 H                  4.01935400   13.68559100    2.49574100
 C                  1.62799700   11.09596600    0.88211800
 H                  2.59155200   10.65868800    1.15540100
 H                  1.28667000   11.70298000    1.72602000
 C                  0.64083700    9.99950000    0.61455800
 C                  0.81622000    9.14798200   -0.46418100
 C                 -0.01352700    8.07210100   -0.73973100
 C                 -1.08218200    7.87334100    0.13412100
 H                 -1.74768300    7.03598400   -0.05128300
 C                 -1.32297900    8.71095700    1.22029900
 C                 -0.44957400    9.77539800    1.44622500
 H                 -0.61444800   10.43962600    2.28859800
 C                  0.54382600   12.61291700   -0.68579400
 H                 -0.09954800   11.79782500   -1.03066300
 H                  0.08251800   13.04547800    0.20707300
 C                  0.67408900   13.65295000   -1.76114500
 C                  1.37963000   13.34742500   -2.92408700
 C                  1.44753900   14.27579400   -3.97453800
 C                  0.80811100   15.49840100   -3.81705700
 H                  0.86059800   16.22109100   -4.62819800
 C                  0.10421100   15.83375800   -2.65533700
 C                  0.05193300   14.89424000   -1.63393100
 H                 -0.48577200   15.11992800   -0.71709000
 O                  3.31555500    9.88825100   -3.30265300
 C                  3.77996100   10.25709000   -4.64296400
 C                  2.67780300    9.31550900   -4.51467100
 H                  4.78744500    9.91644500   -4.85024000
 H                  3.54095900   11.28268500   -4.90737600
 C                  0.24599600    7.16188900   -1.90511400
 H                  1.22840600    6.67943500   -1.82637700
 H                  0.19414600    7.68131600   -2.86790400
 H                 -0.49454400    6.36217400   -1.92664600
 C                  2.20699500   13.92545100   -5.22204000
 H                  1.82693700   13.00521700   -5.67375000
 H                  3.26690200   13.75718800   -5.00442500
 H                  2.13417200   14.72650100   -5.96030400
 C                 -0.57009600   17.17512600   -2.52815900
 H                 -1.34547000   17.30038100   -3.29020200
 H                  0.14536200   17.99340800   -2.65503200
 H                 -1.04118800   17.29010400   -1.54928600
 C                 -2.51076500    8.49256700    2.11737300
 H                 -2.25799700    8.67803000    3.16378500
 H                 -2.89315900    7.47356900    2.02852800
 H                 -3.32193100    9.17700500    1.84868400
 C                  6.90945600   10.32740600   -0.55774100
 H                  7.05367200   10.74150700   -1.56035800
 H                  6.39283400    9.37135400   -0.68332800
 H                  7.89047500   10.13351200   -0.11913500
 C                  6.41958700   13.06574200    3.65788100
 H                  7.36749000   13.59563000    3.52217200
 H                  6.61361300   12.22479200    4.33086800
 H                  5.72525900   13.74391000    4.15897600
 H                  2.90985800    8.26504800   -4.56020100
 C                  1.26467900    9.68685800   -4.86787100
 H                  1.28150100   10.13294700   -5.86781800
 H                  0.86784100   10.43841700   -4.18335900
 O                  0.39772600    8.59453600   -4.82019900
 C                  0.62321000    7.54775000   -5.75771100
 O                  1.60707700    7.67279100   -6.50386100
 O                 -0.20823000    6.66639400   -5.61737600
 H                  2.23708200    8.61775800   -1.73441000
 






