%chk=L-Carbonate-2Al.chk
%nprocshared=12
%mem=20GB
#p opt=(noeigentest) iop(1/8=10) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.22557000   10.06343500    2.52634500
 N                  2.50786300   11.41391400    1.36765000
 O                  2.72955200    9.32746200    3.18834500
 O                  0.56373100    9.42801800    0.99193400
 O                  0.41722500   11.50313300    3.21581800
 C                  3.70154100   11.79123500    2.16301400
 H                  3.32799400   12.26282300    3.07151500
 H                  4.27455100   12.55168300    1.61515700
 C                  4.59926800   10.64835300    2.53664400
 C                  4.03856100    9.47771900    3.06369900
 C                  4.88815400    8.42824600    3.47128700
 C                  6.26299900    8.58411500    3.34448800
 H                  6.91045000    7.77067800    3.66534900
 C                  6.83974300    9.74239400    2.81565800
 C                  5.98373400   10.76355800    2.41735500
 H                  6.39729400   11.67683600    1.99640100
 C                  2.93758800   10.73243200    0.12216600
 H                  3.45373900    9.81455400    0.41941600
 H                  3.66890000   11.36407800   -0.39937900
 C                  1.80038500   10.40050000   -0.80162200
 C                  0.66985100    9.74614800   -0.29129500
 C                 -0.38475600    9.41296900   -1.16599400
 C                 -0.27211000    9.73144300   -2.51407300
 H                 -1.09000500    9.46826000   -3.18146100
 C                  0.84828900   10.38113600   -3.03937000
 C                  1.87081700   10.71486400   -2.15786800
 H                  2.75266100   11.23141100   -2.52956500
 C                  1.75716000   12.65330200    1.02816900
 H                  0.85965600   12.35076700    0.48228200
 H                  2.36626700   13.26649500    0.35101600
 C                  1.37863700   13.45043100    2.24418100
 C                  0.72139800   12.79284400    3.29390100
 C                  0.39802200   13.51005600    4.46189600
 C                  0.72242000   14.86013100    4.53683700
 H                  0.48712400   15.40127600    5.45073300
 C                  1.36477500   15.53408700    3.49593200
 C                  1.69248400   14.80264300    2.35746200
 H                  2.21847700   15.28894200    1.53921100
 O                  0.98324900    9.49500900    5.46325400
 C                  1.40901346    7.73968074    6.91021176
 C                  1.74364400    9.19664200    6.62433800
 H                  0.33240628    7.57668406    6.83925002
 H                  1.91442906    7.08850969    6.19851660
 C                 -1.60246900    8.73095400   -0.61005700
 H                 -1.33627500    7.79912400   -0.10233800
 H                 -2.09911500    9.35918100    0.13631700
 H                 -2.32084800    8.50211900   -1.40079600
 C                 -0.24646000   12.77925500    5.60519400
 H                 -1.31145700   12.60052900    5.41704700
 H                  0.21553500   11.79805400    5.72675400
 H                 -0.15828500   13.34185600    6.53790300
 C                  1.70033300   16.99912000    3.61344700
 H                  0.84613100   17.62906900    3.34060400
 H                  1.98054600   17.25897600    4.63823300
 H                  2.52980400   17.27129700    2.95546200
 C                  0.94608500   10.68590300   -4.51245900
 H                  1.17763300    9.78449400   -5.09059200
 H                  0.00575100   11.08689900   -4.90187200
 H                  1.73253600   11.41731400   -4.71455300
 C                  4.27787400    7.16411300    4.00637500
 H                  3.46946200    7.37926400    4.70915400
 H                  3.82532300    6.57672400    3.19978500
 H                  5.02755100    6.54037200    4.49933600
 C                  8.33446700    9.86298300    2.66106100
 H                  8.85872500    9.61975000    3.59054900
 H                  8.71175400    9.17935500    1.89313000
 H                  8.62058400   10.87724000    2.37216600
 H                  1.42727117    9.84047588    7.44848169
 C                  3.22005233    9.42892293    6.36889639
 H                  3.39961906   10.50688935    6.29454265
 H                  3.78660296    9.03137518    7.21101409
 O                  3.67130655    8.75318749    5.21051784
 H                  3.14849223    9.07977963    4.47256614
 O                  1.86337941    7.35337794    8.23615371
 C                  0.96672825    7.79595214    9.27829507
 H                  1.57156563    7.94382607   10.17202867
 H                  0.54712767    8.76069195    8.99462053
 Al                 2.85886742    5.59521269    8.25892194
 O                  2.72639551    5.57823875   10.16037808
 O                  1.37929247    4.90567709    7.61216711
 O                  4.24203641    6.40051425    7.54168501
 C                  3.52279460    4.94966735   11.14052256
 C                  1.04249896    3.67236458    7.20400566
 C                  5.36492549    5.92132084    6.96769507
 C                  4.50085170    4.04343853   10.75602617
 C                  3.28188678    5.27348580   12.47625949
 C                  1.75695781    2.54663385    7.61608797
 C                 -0.05735072    3.53100249    6.34499243
 C                  5.49019281    4.56444995    6.64470602
 C                  6.45035516    6.78514773    6.73913596
 C                  4.90729729    3.77704647    9.32967628
 C                  5.23813896    3.42073492   11.76471639
 C                  4.04942302    4.63221956   13.44071637
 C                  2.23272990    6.27363822   12.87253706
 C                  2.85599772    2.69045248    8.63060906
 C                  1.41261120    1.29099790    7.11558941
 C                 -0.37871268    2.26502830    5.87362570
 C                 -0.85992294    4.74468977    5.98668168
 C                  4.38048195    3.60276645    6.96015804
 C                  6.65929161    4.08882525    6.05461709
 C                  7.59790441    6.27330385    6.14215899
 C                  6.37684806    8.23472486    7.12279722
 N                  3.81003903    3.79912958    8.33167819
 H                  5.63938923    4.53219099    9.03772509
 H                  5.41206819    2.80708959    9.27335674
 C                  5.02837933    3.69695778   13.10877114
 H                  6.00145437    2.70521656   11.47632425
 H                  3.87587285    4.87683493   14.48418441
 H                  2.28027622    7.17647252   12.25878524
 H                  1.22793356    5.85141913   12.78047235
 H                  2.36752967    6.56783469   13.91382702
 H                  2.42692893    2.88936446    9.61723480
 H                  3.42579545    1.75833010    8.70272682
 C                  0.35022196    1.12769736    6.23446701
 H                  1.99197245    0.42630148    7.42763835
 H                 -1.22524548    2.16026997    5.19907369
 H                 -1.31386855    5.18487266    6.88083144
 H                 -0.23330270    5.51616718    5.53188404
 H                 -1.65521500    4.49134230    5.28426205
 H                  3.55588117    3.71217090    6.24929484
 H                  4.74323143    2.57338969    6.87952316
 C                  7.72548688    4.93322572    5.77486650
 H                  6.73221622    3.03040794    5.82020820
 H                  8.43138512    6.94915416    5.96625667
 H                  5.83076315    8.80040808    6.36398950
 H                  5.85671074    8.36794987    8.07399966
 H                  7.37906697    8.66011608    7.21094902
 C                  5.83224733    3.02073204   14.18588069
 C                 -0.02031606   -0.22576544    5.68583696
 C                  8.97898481    4.42837414    5.10958765
 H                  6.36686658    3.75827147   14.79129591
 H                  5.18293795    2.45519456   14.86043467
 H                  6.56630313    2.33232010   13.76286034
 H                 -1.02749967   -0.51909939    5.99859272
 H                 -0.00929182   -0.22510100    4.59155845
 H                  0.67429870   -0.99589433    6.02892764
 H                  9.06340122    4.81179969    4.08747361
 H                  9.87449233    4.74701525    5.65090069
 H                  8.98501404    3.33721746    5.05638751
 C                 -0.15029666    6.82645201    9.52218373
 C                 -0.67943606    6.69391891   10.87272820
 O                  0.19957490    5.68239892   10.33660939
 H                 -0.78275529    6.57527966    8.67769308
 H                 -0.25693066    7.29353971   11.67288562
 H                 -1.69657504    6.34866621   11.00944772
 H                  1.75258462    5.60664975   10.43515731
 C                  0.56900200    8.43900600    4.67932500
 O                  0.21055500    8.83035700    3.51879900
 O                  0.54771200    7.31018000    5.12722300
 






