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

Dimer

0 1
 Al                 1.74482400   10.42995100   -1.84266400
 N                  1.92081500   12.37008700   -1.14268400
 O                  3.65280900   10.23063800   -1.44645300
 O                  0.69884200    9.93015600   -0.51615000
 O                  1.44050700   10.97543500   -3.48284700
 C                  3.22420900   12.99697800   -1.51191800
 H                  3.34928100   12.89739100   -2.59251300
 H                  3.17435200   14.06585700   -1.28245700
 C                  4.40434700   12.38876800   -0.80650800
 C                  4.61470500   11.02081100   -0.80598400
 C                  5.70036900   10.41095300   -0.18851000
 C                  6.61341800   11.24931100    0.44382800
 H                  7.47439100   10.80139100    0.93071400
 C                  6.44950000   12.63408300    0.48037300
 C                  5.33538900   13.18528200   -0.14514700
 H                  5.17962600   14.25919300   -0.12404400
 C                  1.76101100   12.43531300    0.34072400
 H                  2.59385800   11.88127700    0.78149500
 H                  1.86667700   13.48066800    0.65029300
 C                  0.47063000   11.86846800    0.85906400
 C                  0.05131100   10.60057600    0.44879800
 C                 -1.07242600   10.00649600    1.04736600
 C                 -1.76952100   10.72154600    2.01326400
 H                 -2.64468700   10.26342100    2.46786200
 C                 -1.39386100   12.00834100    2.40917900
 C                 -0.26434600   12.56292800    1.81942300
 H                  0.06598100   13.55520800    2.11513600
 C                  0.81104700   13.15288600   -1.77904600
 H                 -0.12406400   12.64181100   -1.53335300
 H                  0.77459500   14.13993000   -1.30599700
 C                  0.95293100   13.29810200   -3.26693100
 C                  1.26199700   12.17849400   -4.04235100
 C                  1.42075400   12.31018100   -5.43040400
 C                  1.19805100   13.55106700   -6.01353200
 H                  1.29852700   13.64395600   -7.09237200
 C                  0.85001400   14.67671300   -5.26264000
 C                  0.75277100   14.53085300   -3.88416700
 H                  0.50521200   15.39128800   -3.26803400
 O                  1.97974700    8.65186900   -2.37126400
 C                  1.94137100    8.00786000   -3.64136700
 C                  0.95011500    7.31590700   -2.83279300
 H                  2.86068100    7.48358000   -3.89060800
 H                  1.55816800    8.63757400   -4.44131000
 C                 -1.50964900    8.63858300    0.60846700
 H                 -0.67380900    7.93387600    0.60944700
 H                 -1.90278900    8.66401500   -0.41198300
 H                 -2.29287300    8.25174500    1.26406600
 C                  1.81094400   11.10535400   -6.23391900
 H                  1.15879100   10.26076800   -6.00306200
 H                  2.83350700   10.78988300   -5.99927900
 H                  1.75614400   11.30862000   -7.30560400
 C                  0.54262500   15.98956800   -5.93348600
 H                 -0.45591600   15.97069300   -6.38454300
 H                  1.25624300   16.20956100   -6.73254200
 H                  0.56679400   16.81579600   -5.21892300
 C                 -2.19156500   12.75995100    3.44361300
 H                 -1.74301700   13.73297400    3.65664000
 H                 -2.24942400   12.20335900    4.38411700
 H                 -3.21836700   12.93076800    3.10515400
 C                  5.86424400    8.91627100   -0.20536700
 H                  5.95475000    8.52661600   -1.22615700
 H                  5.01821700    8.41417600    0.27626000
 H                  6.76793200    8.62638600    0.33080600
 C                  7.44347800   13.50014600    1.20674500
 H                  8.46740600   13.26158300    0.90723800
 H                  7.37561500   13.34332800    2.28771600
 H                  7.26576500   14.55878800    1.00848800
 H                  1.29219500    6.58955200   -2.11558800
 C                 -0.49397900    7.73908600   -2.87950100
 H                 -0.60380900    8.81227700   -2.74370800
 H                 -1.06735500    7.20878000   -2.11891400
 O                 -1.03370200    7.44011500   -4.16769800
 C                 -0.63492500    6.09837500   -4.64911100
 O                 -1.27081800    5.68807000   -5.58890800
 O                  0.29806500    5.64403200   -3.96795300
 Al                -1.82752200    8.73233300   -5.50027500
 N                 -2.54577200   10.06479800   -6.96754900
 O                 -1.69104000   10.02679900   -4.29020300
 O                 -3.38944100    7.89519500   -5.40977100
 O                 -0.39681900    8.37635500   -6.49932200
 C                 -1.84428000   11.36855800   -6.80725800
 C                 -4.01383700   10.26152900   -6.80751700
 C                 -2.28777300    9.53096300   -8.32994000
 C                 -2.05616200   11.30966700   -4.30382800
 C                 -4.43106900    7.86426900   -6.23831700
 C                 -0.00141600    8.65212200   -7.73955200
 H                 -0.77385300   11.17219300   -6.90472400
 H                 -2.13149800   12.02818000   -7.63495300
 C                 -2.13542400   12.04102500   -5.49579300
 H                 -4.17925300   10.66187400   -5.80443200
 H                 -4.34881000   11.01965900   -7.52568100
 C                 -4.79908500    8.99347900   -6.98253200
 H                 -2.82905100    8.58362600   -8.40925000
 H                 -2.72854900   10.21735400   -9.06393800
 C                 -0.84012300    9.29579400   -8.65824500
 C                 -2.39639300   11.93369500   -3.09146200
 C                 -5.17852100    6.67850000   -6.36166700
 C                  1.30606300    8.29909900   -8.12823300
 C                 -2.47693100   13.39054500   -5.45838300
 C                 -5.88887700    8.93291900   -7.84827400
 C                 -0.35474200    9.63620500   -9.92063800
 C                 -2.71756200   13.28605600   -3.09047000
 C                 -2.39789800   11.11956100   -1.83292300
 C                 -6.26596900    6.65894100   -7.22860100
 C                 -4.77692300    5.47531200   -5.55595900
 C                  1.74703400    8.64045200   -9.40069400
 C                  2.20288300    7.58638200   -7.15582800
 C                 -2.74666700   14.04490200   -4.26153100
 H                 -2.52280700   13.94307900   -6.39367200
 C                 -6.64296400    7.77184900   -7.98493400
 H                 -6.14868500    9.81566200   -8.42771700
 C                  0.94106300    9.32411000  -10.31441700
 H                 -1.01669100   10.14940500  -10.61380000
 H                 -2.95054000   13.76382300   -2.14150300
 H                 -1.43891000   10.61960300   -1.68983300
 H                 -3.15631900   10.33068500   -1.87337300
 H                 -2.59653000   11.74143200   -0.95757900
 H                 -6.83383200    5.73657400   -7.32852000
 H                 -3.69776400    5.31369500   -5.61933800
 H                 -5.30269500    4.58018600   -5.89738700
 H                 -5.00845600    5.61914700   -4.49443100
 H                  2.75945100    8.36743200   -9.69027500
 H                  1.64679700    6.84664300   -6.57512600
 H                  2.64252000    8.29019800   -6.44197100
 H                  3.02305400    7.08554300   -7.67581900
 C                 -3.01569400   15.52626300   -4.22477400
 C                 -7.83824300    7.71719700   -8.90207500
 C                  1.46630800    9.70341100  -11.67526800
 H                 -3.39571900   15.88746800   -5.18399600
 H                 -2.09759300   16.08385400   -4.00536500
 H                 -3.74551800   15.78327600   -3.45207100
 H                 -7.78845300    8.49807800   -9.66505400
 H                 -8.77352700    7.85825900   -8.34900900
 H                 -7.90692100    6.75168000   -9.41102400
 H                  1.90906600    8.84225700  -12.18488400
 H                  2.24375100   10.47151400  -11.60426400
 H                  0.66965600   10.09644400  -12.31149000
 H                  3.93132900    9.31022100   -1.56379100
 O                 -3.40531721    9.03880696   -3.58542880
 C                 -4.64008119    8.37225889   -3.87282984
 C                 -5.74622560    8.74662988   -2.92606445
 H                 -4.42465412    7.30534286   -3.81264632
 H                 -4.92593979    8.62719482   -4.89401189
 O                 -5.57970301    8.39922522   -1.55986407
 C                 -5.60419034    9.78405618   -1.90735353
 H                 -6.73694671    8.53751958   -3.32592835
 H                 -6.48649851   10.33011539   -1.58305444
 H                 -4.65202168   10.29165170   -1.78686120
 H                 -3.21330291    9.52762239   -2.78181820
 
B 75 41 F 
B 3 138 F
B 139 76 S 6 -0.120





