%chk=Carbonate-2.chk
%nprocshared=8
%mem=30GB
#p opt=(noeigentest) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                -5.40686100    3.14758800    4.55165900
 O                 -4.07171000    2.86647300    3.32732900
 O                 -5.52989300    4.31732300    5.88044600
 N                 -6.35114800    4.54982300    3.20036100
 O                 -6.75109100    1.98079100    4.39055600
 O                 -5.64483700    0.33748300    2.50289400
 C                 -6.64452800    5.01408500    6.16704700
 C                 -7.23745000    5.81600900    5.19140600
 C                 -8.38006000    6.55104600    5.49454200
 C                 -8.95671300    6.49901600    6.75823000
 C                 -8.35833100    5.67521400    7.71561200
 C                 -7.21622600    4.92931800    7.44813200
 C                 -6.58744400    5.87771700    3.84283600
 H                 -8.83392000    7.16350200    4.71957900
 H                 -8.80740400    5.60297000    8.70355400
 C                 -8.03664700    2.40860700    4.54839400
 C                 -8.85302000    1.82837500    5.52028600
 C                -10.16866400    2.28087900    5.63186400
 C                -10.68519300    3.28461600    4.81760500
 C                 -9.84155700    3.84705700    3.86046900
 C                 -8.53000000    3.42018800    3.71864000
 H                -10.80619700    1.83389500    6.39022200
 H                -10.20975800    4.64011700    3.21537700
 C                 -7.62160400    3.98245900    2.66592200
 C                 -3.38645200    4.06410700    3.15780700
 C                 -2.11996900    4.26917700    3.70753900
 C                 -1.52714100    5.51162200    3.49218700
 C                 -2.15104900    6.53664800    2.78030700
 C                 -3.43175700    6.30722400    2.28798400
 C                 -4.05500600    5.07938900    2.48180300
 H                 -0.53257800    5.68256600    3.89629900
 H                 -3.95920100    7.09017400    1.75047000
 C                 -5.45015700    4.77510600    2.03151900
 C                 -6.22498400   -0.79148700    1.97585600
 C                 -7.60875500   -0.87826700    1.78149500
 C                 -8.12889200   -2.05646300    1.25326900
 C                 -7.32469500   -3.13382800    0.89095000
 C                 -5.95403600   -2.99675000    1.06693900
 C                 -5.38731500   -1.84305500    1.60778400
 H                 -1.54410300   -1.91339400    0.87046900
 H                 -9.20389100   -2.12479800    1.11156600
 H                 -5.29400700   -3.80869400    0.77545800
 H                 -4.68729400   -0.79407300   -0.36230000
 Al                -3.55497500    1.21224200    2.14681200
 H                 -1.57436400   -0.91374800    2.33842000
 O                 -1.90745100    1.85827900    1.75702500
 N                 -3.21829800   -0.64185400    1.10347400
 O                 -4.38318800    1.92694300    0.66090700
 H                 -7.33254600    3.18421400    1.97778400
 C                 -1.01360000    1.44845500    0.87353600
 C                 -0.85918900    0.08317000    0.57870400
 C                  0.07612300   -0.32956700   -0.36268600
 C                  0.87679500    0.58204900   -1.04643400
 C                  0.69626100    1.93579800   -0.76023300
 C                 -0.22447600    2.38700100    0.18083800
 C                 -1.75285600   -0.90990700    1.26082900
 H                  0.16401100   -1.39104900   -0.58388600
 H                  1.28629000    2.67154400   -1.30276700
 C                 -3.79613100    1.87606000   -0.54314500
 C                 -3.63258300    3.03490800   -1.33166400
 C                 -2.95778100    2.94894900   -2.54625800
 C                 -2.44135500    1.75236100   -3.04014000
 C                 -2.65623400    0.61058000   -2.28024000
 C                 -3.32635700    0.65647400   -1.06155300
 H                 -2.81948600    3.86133900   -3.12239900
 H                 -2.27886000   -0.34646100   -2.63181100
 C                 -3.60963600   -0.62352200   -0.32856100
 H                 -3.13310100   -1.46956500   -0.83976600
 H                 -5.60657600    6.34825800    3.94794000
 H                 -7.18086500    6.49358200    3.15793100
 H                 -8.13726200    4.75032600    2.07937900
 C                 -3.89359600   -1.78591900    1.77633600
 H                 -3.47568000   -2.71562700    1.37273600
 H                 -3.62474100   -1.73093400    2.83056700
 H                 -5.43571100    3.85352600    1.44928800
 H                 -5.85515700    5.58289300    1.41333000
 O                 -1.77519267   -2.18222373    2.56635442
 C                 -0.87079563   -2.56475152    3.61967188
 C                 -2.06271001   -1.76902018    3.92119243
 H                 -0.86241978   -3.62985824    3.82029449
 O                 -3.11431800    0.33197300    3.64506700
 C                 -1.42830600    3.21813300    4.52459700
 H                 -1.73578500    3.29218700    5.57354600
 H                 -1.66976400    2.21933000    4.16630400
 H                 -0.34509500    3.35794900    4.48623000
 C                 -6.59589400    4.02846800    8.47737700
 H                 -7.15495200    4.06324400    9.41498600
 H                 -6.57630300    2.99394800    8.12425500
 H                 -5.55909900    4.31200800    8.68564400
 C                -10.21315700    7.26550800    7.08432200
 H                -10.10616600    7.82585000    8.01794300
 H                -10.46228400    7.97399300    6.29103100
 H                -11.06674200    6.59080200    7.20883300
 C                 -8.31921400    0.75467900    6.42337500
 H                 -7.75360200    0.00740400    5.86032300
 H                 -7.64588800    1.18051400    7.17424000
 H                 -9.13157100    0.25136500    6.95177100
 C                -12.11384300    3.74265800    4.94864700
 H                -12.73605700    3.32650400    4.14912900
 H                -12.54528300    3.42785700    5.90142600
 H                -12.18797600    4.83167800    4.88431200
 C                 -8.52445900    0.25969300    2.12679000
 H                 -8.60694000    0.40298200    3.20590400
 H                 -8.17636600    1.19802600    1.68699500
 H                 -9.52889700    0.06852600    1.74662800
 C                 -7.92059500   -4.38109100    0.29326500
 H                 -8.22516000   -4.20945100   -0.74433600
 H                 -7.20087600   -5.20252200    0.29708900
 H                 -8.80825300   -4.70070300    0.84555900
 C                 -4.16379100    4.36054900   -0.87319000
 H                 -5.24845500    4.33040300   -0.73881400
 H                 -3.72350000    4.65327800    0.08174600
 H                 -3.93642600    5.14038300   -1.60397400
 C                 -1.65338300    1.71373200   -4.32401900
 H                 -1.50271500    0.68639000   -4.66518200
 H                 -2.15744400    2.26528400   -5.12331000
 H                 -0.66405100    2.16538400   -4.19148200
 C                 -0.42848700    3.84937300    0.45237200
 H                 -1.49240800    4.10245900    0.43129600
 H                 -0.06553900    4.12378600    1.44787500
 H                  0.09559800    4.46516700   -0.28318500
 C                  1.89749000    0.12136700   -2.05611800
 H                  2.11055400    0.90320600   -2.79001000
 H                  2.84667400   -0.14453300   -1.57704100
 H                  1.54935800   -0.76261800   -2.59797100
 C                 -1.46563100    7.86404900    2.58769000
 H                 -1.51219600    8.46414400    3.50249400
 H                 -0.40940100    7.73021100    2.33983800
 H                 -1.93482100    8.43971000    1.78686100
 H                  0.09086229   -2.06776236    3.57490204
 H                 -2.93345273   -2.28493022    4.31195351
 C                 -2.00757194   -0.29333572    4.17272990
 H                 -1.05710123    0.09483207    3.77559409
 H                 -1.96422085   -0.16718419    5.26759063
 H                 -6.24157100    0.83535100    3.10171700
 O                 -4.42517386    2.04863783    5.76685400
 C                 -3.56086692    1.00393466    4.83782079
 O                 -2.89843630    0.29009768    5.63676529
 






