%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                 2.10601500   10.69945100    1.74786200
 N                  1.94688600   11.98359200    0.14545900
 O                  3.53003500   11.65583100    2.43414100
 O                  0.86370300    9.60891000    0.94017300
 O                  0.84851600   11.48651400    2.82711600
 C                  2.88660100   13.13946100    0.20822700
 H                  2.53147500   13.78488800    1.01458600
 H                  2.81020400   13.70043100   -0.73060000
 C                  4.30550200   12.74943000    0.48961500
 C                  4.54710000   12.03070900    1.67019700
 C                  5.87689600   11.72261700    2.02019700
 C                  6.90719300   12.13090900    1.18076400
 H                  7.93097300   11.88428900    1.45515300
 C                  6.67851000   12.83220400   -0.00737400
 C                  5.36013400   13.13170800   -0.33556900
 H                  5.14277700   13.67988200   -1.24944300
 C                  2.22020600   11.21840000   -1.10120300
 H                  3.25280800   10.86416600   -1.02449100
 H                  2.17985500   11.91571700   -1.94740600
 C                  1.29449900   10.05541300   -1.37068400
 C                  0.72114800    9.29834800   -0.33199000
 C                 -0.08485100    8.18488100   -0.67134900
 C                 -0.28834800    7.86268500   -2.00470400
 H                 -0.90921400    7.00217700   -2.24597200
 C                  0.27202700    8.60921600   -3.04702200
 C                  1.05291100    9.70402800   -2.70091000
 H                  1.49572000   10.31164200   -3.48724500
 C                  0.55282900   12.51321800    0.13414800
 H                 -0.11794500   11.66367900    0.00594400
 H                  0.43937800   13.16140300   -0.74267100
 C                  0.17507300   13.27434400    1.38088300
 C                  0.30462100   12.69191000    2.65691300
 C                 -0.16252300   13.40825100    3.77946800
 C                 -0.70493700   14.67587300    3.60329900
 H                 -1.05607500   15.21298400    4.48173600
 C                 -0.81125100   15.28050500    2.35013800
 C                 -0.36377700   14.55492300    1.25289400
 H                 -0.43858000   14.99046700    0.25946100
 O                  2.03632724    9.60996217    5.36339801
 C                  3.34316413   10.26524231    7.21902238
 C                  2.24851682    9.31406743    6.74408617
 H                  4.07702656   10.41874419    6.42719432
 H                  2.91203042   11.22721334    7.47761315
 C                 -0.70038000    7.38613300    0.44224900
 H                  0.06887800    6.97941800    1.10642300
 H                 -1.34498700    8.01181400    1.06768800
 H                 -1.29415200    6.55641700    0.05083700
 C                 -0.06551800   12.80685100    5.15316400
 H                 -0.35156800   11.75288900    5.16134300
 H                  0.95897000   12.86653200    5.53394600
 H                 -0.71072200   13.34499800    5.85092800
 C                 -1.41906500   16.65162000    2.19923900
 H                 -2.50080300   16.62786100    2.37037000
 H                 -0.99416000   17.35828700    2.91856400
 H                 -1.25173400   17.05150400    1.19618000
 C                  0.03380900    8.22686500   -4.48590100
 H                  0.52153400    7.27775800   -4.73346900
 H                 -1.03331400    8.10411100   -4.69634200
 H                  0.42451300    8.98594400   -5.16830600
 C                  6.13975700   10.95857700    3.28538900
 H                  5.75482900   11.50629400    4.14918800
 H                  5.63844200    9.98602300    3.27414300
 H                  7.20911600   10.79182900    3.43494600
 C                  7.82866900   13.24536400   -0.89090400
 H                  8.49812400   13.94341800   -0.37743900
 H                  8.43137000   12.38245000   -1.19207400
 H                  7.47090200   13.73544700   -1.79967100
 H                  2.56959621    8.27135651    6.79597630
 C                  0.92417244    9.44717915    7.47036783
 H                  0.21321346    8.76912495    6.97966366
 H                  1.06559227    9.10162072    8.49774879
 O                  0.41755085   10.75756837    7.53010130
 H                  0.62113208   11.24376731    6.71249893
 O                  4.00908786    9.76284385    8.40811694
 C                  4.95481588    8.71570640    8.10490648
 H                  5.00882843    8.07233561    8.98258684
 H                  4.56721446    8.11960545    7.27904702
 Al                 4.34752134   11.21971217    9.78410730
 O                  5.50738976   10.00283641   10.69313957
 O                  5.24332095   12.02969107    8.51119608
 O                  2.64458956   11.21749160   10.17005646
 C                  5.89802216    9.91907167   12.04656177
 C                  5.85006655   13.22775979    8.45567858
 C                  1.88577529   12.07028828   10.88671635
 C                  5.57746790   10.95013139   12.91633023
 C                  6.60514605    8.78624419   12.45239825
 C                  6.31713259   13.85247686    9.61360497
 C                  5.99611351   13.85072543    7.20567212
 C                  2.38288529   13.30256387   11.32776204
 C                  0.57797482   11.68886375   11.23077348
 C                  4.69054154   12.11543075   12.56862579
 C                  6.00794332   10.84092714   14.23924169
 C                  7.00519104    8.72280035   13.78183725
 C                  6.93392321    7.66983633   11.50078646
 C                  6.16607930   13.17162160   10.94656735
 C                  6.92675856   15.10343679    9.52372181
 C                  6.61708585   15.09273380    7.15587435
 C                  5.49113259   13.16077850    5.97243088
 C                  3.79000167   13.72782911   11.01272413
 C                  1.56587578   14.15792848   12.06628777
 C                 -0.20674040   12.57174269   11.96382841
 C                  0.03794476   10.35921706   10.79251949
 N                  4.79254600   12.62948361   11.18096649
 H                  3.65391303   11.81374052   12.73238588
 H                  4.89573437   12.94025859   13.25886630
 C                  6.72186058    9.74018397   14.69208277
 H                  5.76374978   11.64299077   14.92874403
 H                  7.55291594    7.84627890   14.11472909
 H                  6.07116103    7.38719605   10.89268085
 H                  7.75029010    7.94874856   10.82851927
 H                  7.25511442    6.78852931   12.05688331
 H                  6.86532726   12.33445567   11.02977397
 H                  6.39933402   13.87455744   11.75281968
 C                  7.09230273   15.74040147    8.29966584
 H                  7.27632501   15.58440337   10.43323842
 H                  6.73148981   15.57685543    6.18897325
 H                  5.94118912   12.16982049    5.86850775
 H                  4.41128081   12.99639414    5.99453756
 H                  5.72545479   13.73913907    5.07638355
 H                  3.86271450   14.08103129    9.98157385
 H                  4.08127927   14.56070485   11.66072523
 C                  0.25750492   13.81882759   12.38466496
 H                  1.97487239   15.10591860   12.40514930
 H                 -1.21866771   12.26950891   12.22260752
 H                 -0.22670767   10.39685049    9.73321422
 H                  0.78268031    9.56944945   10.91736052
 H                 -0.85382108   10.09565209   11.36563327
 C                  7.18052133    9.63787669   16.12128832
 C                  7.75139832   17.09150695    8.19688283
 C                 -0.63714594   14.75569683   13.15333939
 H                  6.81319336    8.71786053   16.58450997
 H                  8.27275853    9.61834945   16.17944117
 H                  6.82401000   10.48299077   16.71303424
 H                  8.60793288   17.06388747    7.51649438
 H                  7.05580656   17.84272263    7.80957244
 H                  8.10694029   17.43395946    9.17127340
 H                 -1.41081581   15.17845900   12.50404789
 H                 -1.14681861   14.23899521   13.97154858
 H                 -0.06991211   15.58734307   13.57773828
 C                  6.30484200    9.24721432    7.72464045
 C                  7.48240503    8.44649311    8.03671752
 O                  7.16490304    9.60865486    8.82956927
 H                  6.34303020    9.96205879    6.91189151
 H                  7.35905689    7.49649007    8.54705885
 H                  8.37761487    8.56354058    7.43754911
 H                  6.26321164    9.72105197   10.08308269
 C                  2.35758971    8.69048654    4.31463789
 O                  2.20772285    9.33369677    3.24295316
 O                  2.68683137    7.56098919    4.57688858
 






