%chk=Carbonate-2Al.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                 2.62085500   10.66416900    1.95581000
 N                  1.79405200   11.94719600    0.30113700
 O                  4.17175400   10.75023100    1.03995600
 O                  1.30829800    9.47679500    1.45186800
 O                  2.16475500   12.04940200    3.03261400
 C                  2.78283000   12.99306400   -0.04971300
 H                  3.01625200   13.54242700    0.86580900
 H                  2.32591300   13.70666900   -0.74990100
 C                  4.04913900   12.44145500   -0.64130100
 C                  4.67298400   11.34379400   -0.02893100
 C                  5.87628000   10.84842400   -0.57829500
 C                  6.41494500   11.46161600   -1.70223100
 H                  7.34172500   11.06917300   -2.11581400
 C                  5.80406000   12.55535400   -2.32323500
 C                  4.61509100   13.02322900   -1.77521700
 H                  4.10646400   13.86506900   -2.23956100
 C                  1.51476800   11.12859600   -0.89533000
 H                  2.44874800   10.63842900   -1.18298700
 H                  1.22895700   11.78857000   -1.72695000
 C                  0.45511000   10.08271600   -0.70053300
 C                  0.46093200    9.27102400    0.44301900
 C                 -0.45263000    8.19563400    0.51683100
 C                 -1.37350500    8.01511500   -0.50891100
 H                 -2.07691600    7.18877800   -0.43360300
 C                 -1.42659800    8.84948800   -1.62734900
 C                 -0.49243700    9.87439000   -1.70266100
 H                 -0.48823700   10.53481200   -2.56653800
 C                  0.53588700   12.57714400    0.76121400
 H                 -0.12681400   11.77277300    1.09254600
 H                  0.04669800   13.07285700   -0.08913400
 C                  0.73547800   13.56611100    1.87222600
 C                  1.55363900   13.22164200    2.95954000
 C                  1.74461800   14.17017200    3.98934600
 C                  1.09955000   15.39898700    3.91074200
 H                  1.25832000   16.11983800    4.71023700
 C                  0.26958600   15.74690600    2.84193600
 C                  0.11133600   14.81115400    1.82626600
 H                 -0.50881700   15.05260100    0.96602500
 O                  3.32135000    9.59361100    3.19953000
 C                  3.67807573   10.57404747    5.35397763
 C                  3.19241239    9.35760289    4.55590509
 H                  4.67729643   10.85361701    4.98911156
 H                  3.00012501   11.40237237    5.15850402
 C                 -0.40471400    7.24324300    1.67928400
 H                  0.60406600    6.83917400    1.80760500
 H                 -0.66636900    7.72867400    2.62308800
 H                 -1.09184400    6.40866400    1.52082100
 C                  2.64504600   13.83808300    5.14612900
 H                  2.17928400   13.11621200    5.82419300
 H                  3.57535600   13.38290300    4.79721300
 H                  2.88466700   14.73509900    5.72263500
 C                 -0.42664900   17.08347300    2.80367000
 H                 -1.20711400   17.14791000    3.56951000
 H                  0.27274400   17.90521100    2.98580100
 H                 -0.90055600   17.25428300    1.83382900
 C                 -2.45264600    8.62978700   -2.70972000
 H                 -2.32448600    7.65493100   -3.19170500
 H                 -3.46994500    8.65935300   -2.30665100
 H                 -2.37920100    9.39648100   -3.48500400
 C                  6.53543100    9.66537700    0.07214200
 H                  6.77265700    9.87245300    1.12006400
 H                  5.87049400    8.79593000    0.07355100
 H                  7.45847300    9.39463500   -0.44637400
 C                  6.42044000   13.19772300   -3.54024600
 H                  7.37640200   13.67569900   -3.30114700
 H                  6.61641700   12.46156700   -4.32619800
 H                  5.76222300   13.96414300   -3.95707400
 H                  3.82853943    8.49548269    4.82628519
 C                  1.77649118    8.96093674    4.97981014
 H                  1.50979415    8.01720104    4.48253298
 H                  1.76458929    8.78848862    6.06075418
 O                  0.80823122    9.95540250    4.70592126
 H                  0.73578165    9.98193015    3.73970323
 O                  3.70504025   10.39082263    6.76134550
 C                  4.75178922    9.56604876    7.20771866
 H                  4.40064166    8.83676923    7.95323091
 H                  5.13380319    9.02081968    6.34146072
 Al                 2.43445787   11.19220466    7.94096716
 O                  2.98780417   10.29600377    9.40456367
 O                  2.99653919   12.91854032    7.64021768
 O                  0.97422220   10.59209368    7.04990986
 C                  2.65507211   10.14831141   10.67481730
 C                  2.85167177   14.13695971    8.16234290
 C                 -0.34424328   10.70737896    7.08606600
 C                  1.40408606   10.54083482   11.17481587
 C                  3.59759530    9.58210107   11.56147923
 C                  2.11565109   14.36082949    9.33483804
 C                  3.46732337   15.23845046    7.52657673
 C                 -0.98031806   11.74010266    7.79259886
 C                 -1.14375523    9.75303957    6.41771017
 C                  0.38436720   11.11987598   10.23530957
 C                  1.10873934   10.37317646   12.52729106
 C                  3.26242127    9.42117189   12.89982027
 C                  4.94064535    9.17415946   11.02580325
 C                  1.58683396   13.20381605   10.13255871
 C                  1.93271330   15.65941526    9.80993207
 C                  3.26986972   16.51571558    8.03877825
 C                  4.34892187   15.02189282    6.32802411
 C                 -0.14661058   12.75212331    8.52265777
 C                 -2.37088186   11.82798884    7.81274740
 C                 -2.52763255    9.87844080    6.45560097
 C                 -0.48643281    8.61741969    5.68456947
 N                  0.94046662   12.14920862    9.32654927
 H                 -0.03179083   10.32424294    9.61221516
 H                 -0.44716392   11.55172167   10.81005628
 C                  2.02031586    9.80830205   13.41206401
 H                  0.13711029   10.69662842   12.89379776
 H                  3.99826073    8.98472781   13.57215978
 H                  4.83822842    8.43878388   10.22204291
 H                  5.46854293   10.03017021   10.59377197
 H                  5.56443902    8.74401156   11.81321728
 H                  2.41399964   12.74031655   10.67688767
 H                  0.87437264   13.57287919   10.88424793
 C                  2.49384628   16.75910476    9.17387739
 H                  1.33692347   15.80459027   10.70793933
 H                  3.74221718   17.35499967    7.53303003
 H                  5.12406310   14.28098969    6.54618396
 H                  3.79162371   14.64296084    5.46738370
 H                  4.83725616   15.95484796    6.03664015
 H                  0.31996674   13.43613465    7.80823473
 H                 -0.79050598   13.35520065    9.17826847
 C                 -3.17176862   10.91138032    7.14142807
 H                 -2.83473636   12.63386457    8.37693201
 H                 -3.12987957    9.13446823    5.93807835
 H                 -0.01882881    8.95587382    4.75473181
 H                  0.30772685    8.17170559    6.28876917
 H                 -1.21554761    7.84339941    5.43218225
 C                  1.69049321    9.61458668   14.87061446
 C                  2.29034492   18.16193310    9.68693670
 C                 -4.67520164   11.02231601    7.14253719
 H                  1.63617792    8.55247386   15.13226102
 H                  2.44953702   10.06676136   15.51671331
 H                  0.72725134   10.06664579   15.12001874
 H                  3.23808869   18.61974792    9.98903950
 H                  1.85024898   18.80706572    8.91989337
 H                  1.62446886   18.17282997   10.55340624
 H                 -5.05473766   11.29901975    6.15300391
 H                 -5.14703438   10.07334401    7.41530380
 H                 -5.01461178   11.78217541    7.85089439
 C                  5.91641597   10.36094614    7.82689773
 C                  6.53512126    9.93951294    9.08086237
 O                  5.57283523   11.03758148    9.04798495
 H                  6.46369678   10.99430116    7.10436412
 H                  6.18295087    9.03903349    9.61735331
 H                  7.56646551   10.24314654    9.33940717
 H                  3.75958689    9.76381584    9.19785750
 C                  4.15063728    9.00270348    2.19553254
 O                  4.05152926    9.39555338    0.95891286
 O                  5.00180658    8.07397334    2.52165036
 






