%chk=Scan16.chk
%nprocshared=8
%mem=20GB
#p opt=(modredundant,noeigentest) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.81283600   10.60345600   -1.75173700
 N                  2.08443500   12.34411900   -0.74364100
 O                  3.67618500   10.18390800   -1.42566300
 O                  0.68074400    9.90692000   -0.61161000
 O                  1.52815000   11.37075700   -3.28825200
 C                  3.42501100   12.94872900   -0.99671700
 H                  3.54317500   13.04979200   -2.07885900
 H                  3.43598900   13.95492200   -0.56793500
 C                  4.56251600   12.15183000   -0.42318900
 C                  4.68505000   10.79506000   -0.65946600
 C                  5.72044100   10.01421200   -0.16044200
 C                  6.68239500   10.66857900    0.60207400
 H                  7.50653000   10.08720400    1.00400400
 C                  6.61260100   12.03545200    0.87355200
 C                  5.54073800   12.75877000    0.36050800
 H                  5.45450200   13.82027300    0.56866400
 C                  1.90029700   12.11216300    0.72438200
 H                  2.66285100   11.39641500    1.04279400
 H                  2.09387700   13.05424600    1.24723700
 C                  0.53371200   11.59432700    1.07593400
 C                  0.00418700   10.49149600    0.39841700
 C                 -1.24979200    9.97937500    0.76707600
 C                 -1.94263300   10.59807500    1.80181700
 H                 -2.91339300   10.19883900    2.08531200
 C                 -1.44211200   11.71068300    2.48131000
 C                 -0.19800700   12.19603800    2.09823400
 H                  0.22261600   13.06168300    2.60231600
 C                  1.03904800   13.31036400   -1.20694800
 H                  0.07143000   12.87276700   -0.95487400
 H                  1.14297900   14.22538500   -0.61490600
 C                  1.07810600   13.63996500   -2.67379900
 C                  1.27484300   12.64508800   -3.63387900
 C                  1.20899200   12.96108800   -5.00051100
 C                  0.91093800   14.26596500   -5.36726500
 H                  0.83300400   14.50196300   -6.42557400
 C                  0.70386800   15.27927300   -4.42706800
 C                  0.80422000   14.94602200   -3.08318100
 H                  0.64966000   15.70979600   -2.32562000
 O                  1.99987400    8.86407200   -2.64753100
 C                  1.94358100    8.54124000   -4.06702400
 C                  1.19403600    7.73495000   -3.10804200
 H                  2.89049400    8.17978000   -4.44678000
 H                  1.40151200    9.27075700   -4.65717200
 C                 -1.82140000    8.79628300    0.03990900
 H                 -1.08927500    7.98851000   -0.03730100
 H                 -2.11142000    9.06406100   -0.98034600
 H                 -2.70739700    8.41708000    0.55301400
 C                  1.42775800   11.87746200   -6.01430500
 H                  0.70963600   11.06416300   -5.88213900
 H                  2.42705300   11.44186500   -5.90829500
 H                  1.33162700   12.26810600   -7.03013200
 C                  0.39692600   16.68587000   -4.87103200
 H                 -0.35040000   16.69157600   -5.66913800
 H                  1.29200000   17.18290400   -5.26038300
 H                  0.01527000   17.28911400   -4.04397900
 C                 -2.23977300   12.36489900    3.57915100
 H                 -1.65281500   13.12809700    4.09505700
 H                 -2.56863200   11.63161000    4.32119300
 H                 -3.13817500   12.84680200    3.18014700
 C                  5.78499100    8.53715900   -0.43484800
 H                  5.88233200    8.32547800   -1.50629400
 H                  4.89392500    8.01968500   -0.06377500
 H                  6.65175300    8.09808100    0.05872500
 C                  7.67592800   12.69945800    1.70564500
 H                  8.64939600   12.63847700    1.21045400
 H                  7.77408200   12.20937800    2.67831600
 H                  7.44731300   13.75316300    1.87531000
 H                  1.62087800    6.79920400   -2.77038100
 C                 -0.30577700    7.89182400   -3.03187000
 H                 -0.56655500    8.89010200   -2.68404400
 H                 -0.74305800    7.14572600   -2.36966800
 O                 -0.88534400    7.78044600   -4.31906400
 C                 -1.00644800    6.54308600   -5.02362100
 O                 -1.60483300    6.82241000   -6.09284300
 O                 -0.55499400    5.53410500   -4.53810900
 Al                -1.75066200    8.87034000   -5.74686600
 N                 -2.61049900    9.90386000   -7.35477100
 O                 -1.46250200   10.34505100   -4.73860600
 O                 -3.42286100    8.49314900   -5.07428700
 O                 -0.15065000    8.93291700   -6.67480400
 C                 -1.98166400   11.25632300   -7.42356000
 C                 -4.08495400   10.06868300   -7.21981500
 C                 -2.33828600    9.15329400   -8.60699100
 C                 -1.93273700   11.56608500   -4.91423500
 C                 -4.41378800    8.04800200   -5.83206700
 C                  0.10677100    8.82610900   -7.96537700
 H                 -0.91458900   11.10608300   -7.58773900
 H                 -2.38292700   11.77681700   -8.30175100
 C                 -2.20062200   12.09431800   -6.19004700
 H                 -4.24736400   10.74331900   -6.37668500
 H                 -4.46629300   10.55971900   -8.12347500
 C                 -4.80186300    8.77725700   -6.96657800
 H                 -2.81207100    8.17307300   -8.49321700
 H                 -2.84985200    9.66004100   -9.43575000
 C                 -0.88124600    8.98341400   -8.95487300
 C                 -2.16848500   12.37252400   -3.78029900
 C                 -5.10116300    6.85881100   -5.51533900
 C                  1.43696900    8.57988300   -8.38298500
 C                 -2.62817300   13.41679100   -6.31592500
 C                 -5.83803600    8.32520700   -7.77934600
 C                 -0.53315000    8.92900200  -10.30613500
 C                 -2.57640300   13.68710300   -3.94870700
 C                 -1.97002300   11.76618300   -2.42196200
 C                 -6.14018500    6.44319200   -6.34126500
 C                 -4.68001400    6.06949700   -4.30819100
 C                  1.73920800    8.52114400   -9.73570700
 C                  2.49303100    8.36933600   -7.33793600
 C                 -2.80311500   14.24244700   -5.21124000
 H                 -2.81930700   13.81020700   -7.31185700
 C                 -6.52742200    7.15362300   -7.48257000
 H                 -6.11209200    8.90472300   -8.65798500
 C                  0.76975300    8.69936600  -10.72682300
 H                 -1.31542000    9.06897000  -11.04895500
 H                 -2.72667500   14.30307900   -3.06455500
 H                 -0.99060200   11.28872800   -2.35117100
 H                 -2.70955700   10.98052300   -2.23405400
 H                 -2.06353400   12.51594800   -1.63263100
 H                 -6.66391600    5.52177200   -6.09401300
 H                 -3.66613400    5.67561300   -4.43319900
 H                 -5.35523100    5.22829000   -4.13254900
 H                 -4.66446000    6.69483500   -3.41046600
 H                  2.76925800    8.33007300  -10.02970400
 H                  2.19372100    7.57844800   -6.64335300
 H                  2.64847200    9.27442100   -6.74396300
 H                  3.44625700    8.08995300   -7.79304200
 C                 -3.25781600   15.67255800   -5.35540200
 C                 -7.65020200    6.65587500   -8.35761700
 C                  1.13564100    8.64523700  -12.18841100
 H                 -3.07794500   16.04679800   -6.36646500
 H                 -2.73181700   16.32809500   -4.65550100
 H                 -4.32982700   15.77737900   -5.15312100
 H                 -7.83075500    7.33871100   -9.19157000
 H                 -8.58591300    6.56088200   -7.79708200
 H                 -7.42484300    5.67005500   -8.77745100
 H                  1.56259600    7.67390700  -12.45882800
 H                  1.88054500    9.40606800  -12.44344300
 H                  0.26016800    8.81215100  -12.82063200
 H                  3.92569200    9.29578400   -1.72287300
 
 B 75 41 S 6 -0.260
 B 72 73 F
 






