%chk=Scan2D-FC-2Al.chk %nprocshared=12 %mem=22GB #p opt(modredundant,noeigentest,notrustupdate) pm6 nosymm 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 B 75 41 S 6 -0.15 B 72 76 S 6 0.096