%chk=Scan17.chk
%nprocshared=12
%mem=20GB
#p opt=(modredundant,noeigentest) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.80968300   10.56289500   -1.63009200
 N                  2.12040100   12.37693000   -0.76539900
 O                  3.69440800   10.17038600   -1.35102200
 O                  0.71157300    9.95910600   -0.41007700
 O                  1.41865400   11.20528500   -3.20301700
 C                  3.45084300   12.96032900   -1.11043000
 H                  3.52921900   12.98051700   -2.20233400
 H                  3.47492600   13.99838200   -0.76030100
 C                  4.60918300   12.20540500   -0.51863400
 C                  4.72710600   10.83196100   -0.66106600
 C                  5.78302900   10.08677000   -0.14536700
 C                  6.77159900   10.79545400    0.53491100
 H                  7.61234800   10.24337300    0.94800300
 C                  6.70784300   12.18019800    0.71209100
 C                  5.61455500   12.86650600    0.18654700
 H                  5.53304500   13.94143300    0.32434800
 C                  1.99082200   12.24885600    0.72206200
 H                  2.76371800   11.54962600    1.05719100
 H                  2.21306400   13.22356400    1.17192700
 C                  0.63530600   11.76736100    1.16038600
 C                  0.07397900   10.62429000    0.57650100
 C                 -1.17161900   10.14832400    1.02210500
 C                 -1.82273600   10.83768000    2.04166000
 H                 -2.78655100   10.46573000    2.38604600
 C                 -1.28824300   11.98803700    2.63158800
 C                 -0.05589600   12.44034700    2.16947900
 H                  0.38823900   13.33425700    2.60288000
 C                  1.05272700   13.30308500   -1.26493900
 H                  0.09416400   12.87147500   -0.96265300
 H                  1.15914000   14.25564100   -0.73217900
 C                  1.06910000   13.53333500   -2.75121800
 C                  1.21192500   12.46267100   -3.63986200
 C                  1.14254700   12.67916900   -5.02660400
 C                  0.89572200   13.96701500   -5.48731100
 H                  0.81766200   14.13029200   -6.56083500
 C                  0.75021200   15.05671400   -4.62128000
 C                  0.84864400   14.81806700   -3.25468400
 H                  0.73796400   15.64308000   -2.55334700
 O                  1.97700400    8.74345500   -2.37096400
 C                  2.02580900    8.37192200   -3.78774500
 C                  0.99820400    7.80054600   -2.92664800
 H                  2.91578700    7.80232100   -4.03467300
 H                  1.74772800    9.18534000   -4.44770100
 C                 -1.77966600    8.92972000    0.38609500
 H                 -1.06619500    8.09971700    0.34944600
 H                 -2.08126500    9.13770900   -0.64660800
 H                 -2.66662800    8.60281500    0.93699200
 C                  1.31389200   11.51773400   -5.96366100
 H                  0.57895600   10.73283100   -5.75737200
 H                  2.30711200   11.06553400   -5.85159300
 H                  1.20300500   11.83213300   -7.00581600
 C                  0.50575400   16.44041800   -5.16875000
 H                 -0.26239800   16.42597900   -5.94968500
 H                  1.41512100   16.85886000   -5.61834800
 H                  0.17844900   17.12989500   -4.38403000
 C                 -2.03583500   12.71264800    3.72278900
 H                 -1.44533400   13.54125300    4.12626000
 H                 -2.28241400   12.03960100    4.55218000
 H                 -2.98111700   13.12632900    3.35103000
 C                  5.84149900    8.59162500   -0.31609000
 H                  5.89667700    8.29879900   -1.37312600
 H                  4.96979800    8.09676800    0.13096300
 H                  6.73093700    8.18922500    0.17382600
 C                  7.79879300   12.90128600    1.46001600
 H                  8.75538300   12.81887200    0.93155300
 H                  7.94145500   12.47123500    2.45755100
 H                  7.56775600   13.96395600    1.57684800
 H                  1.16301300    6.80490600   -2.52570600
 C                 -0.43227100    8.27206700   -3.05670600
 H                 -0.45707500    9.36017300   -3.13314800
 H                 -1.00831800    7.95443100   -2.18361500
 O                 -0.96933400    7.71901000   -4.22625600
 C                 -1.24786900    5.94238000   -4.12755100
 O                 -1.10998000    5.51963700   -5.23720100
 O                 -1.45212800    5.68753900   -2.97347600
 Al                -1.76069500    8.71587000   -5.64099700
 N                 -2.65724000    9.84465600   -7.26882900
 O                 -1.76054100   10.21204600   -4.66080900
 O                 -3.24160200    7.71804400   -5.53807400
 O                 -0.35327100    8.39515500   -6.70091500
 C                 -2.06905200   11.20554300   -7.33563700
 C                 -4.12191800    9.95406600   -7.05029800
 C                 -2.40063500    9.14116700   -8.55131900
 C                 -2.10401900   11.48549100   -4.83318700
 C                 -4.34123000    7.58186000   -6.27408700
 C                 -0.00695200    8.66407800   -7.95493400
 H                 -0.99512800   11.08068000   -7.49852800
 H                 -2.47033400   11.72301100   -8.21954300
 C                 -2.30006800   12.04051100   -6.10663700
 H                 -4.26428100   10.43707500   -6.07770900
 H                 -4.54809500   10.62234400   -7.81271800
 C                 -4.83042300    8.62963300   -7.07051500
 H                 -2.80634600    8.12880800   -8.44847600
 H                 -2.96659600    9.63690900   -9.35371600
 C                 -0.94460400    9.07205700   -8.91820100
 C                 -2.27175400   12.29913400   -3.69240300
 C                 -5.04044100    6.35594500   -6.24262600
 C                  1.34748300    8.52509100   -8.33179600
 C                 -2.63781900   13.39021600   -6.23101900
 C                 -5.97703600    8.44293100   -7.84442200
 C                 -0.52772100    9.37100200  -10.21649100
 C                 -2.58427700   13.64351700   -3.85813600
 C                 -2.08572800   11.69388600   -2.32909300
 C                 -6.18780100    6.21272700   -7.01784300
 C                 -4.52685400    5.24234500   -5.37217100
 C                  1.72108300    8.81572600   -9.64051000
 C                  2.35375600    8.06499300   -7.31283400
 C                 -2.77396300   14.21794400   -5.12003700
 H                 -2.78377500   13.80347100   -7.22813800
 C                 -6.67796400    7.23945600   -7.83334400
 H                 -6.32745000    9.26382800   -8.46862300
 C                  0.80400000    9.24907000  -10.60471500
 H                 -1.26972300    9.70276400  -10.94138000
 H                 -2.68777500   14.26688400   -2.97077200
 H                 -1.08084100   11.27461200   -2.21851300
 H                 -2.78688300   10.86766700   -2.16122000
 H                 -2.23880700   12.43801000   -1.54089700
 H                 -6.71721400    5.26069400   -6.99227700
 H                 -3.48809700    4.99746000   -5.61596800
 H                 -5.13928200    4.34146200   -5.48204700
 H                 -4.53221300    5.53280300   -4.31449400
 H                  2.76829500    8.70220300   -9.91937600
 H                  1.97699300    7.20678200   -6.74657200
 H                  2.57311000    8.85611900   -6.58605700
 H                  3.29681800    7.78329400   -7.79241800
 C                 -3.13392200   15.67643100   -5.25711800
 C                 -7.93074200    7.04573300   -8.65171600
 C                  1.25146100    9.56372800  -12.01112300
 H                 -2.97586800   16.03210700   -6.28057600
 H                 -2.53176000   16.30091700   -4.58736700
 H                 -4.18728900   15.85740400   -5.00660000
 H                 -8.04340600    7.83638500   -9.40099000
 H                 -8.82991200    7.05813500   -8.02216600
 H                 -7.92109700    6.08429800   -9.17816500
 H                  1.67956900    8.68171500  -12.50321500
 H                  2.02295200   10.34311500  -12.02258800
 H                  0.41517100    9.91296200  -12.62538900
 H                  3.91165100    9.23684000   -1.53033500
 
 B 72 73 S 6 0.060
 






