%chk=Scan15.chk
%nprocshared=8
%mem=20GB
#p opt=(modredundant,noeigentest) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.14733300   10.88146800   -1.72069800
 N                  2.11931500   12.46648200   -0.43566500
 O                  3.56856200   10.15783300   -0.83254500
 O                  0.47657200   10.38383800   -1.39836200
 O                  2.37796100   11.86647200   -3.17225300
 C                  3.50226200   12.86334500   -0.02682900
 H                  4.05260200   13.10466900   -0.94162800
 H                  3.43405200   13.78318900    0.56344400
 C                  4.23619000   11.81048800    0.75418000
 C                  4.26159300   10.49769600    0.30621200
 C                  4.96539300    9.50188500    0.99076200
 C                  5.65123200    9.86638900    2.14113400
 H                  6.20027500    9.10080000    2.68235800
 C                  5.64575100   11.17603700    2.62485900
 C                  4.92256900   12.13263700    1.91913800
 H                  4.88805900   13.15770600    2.27546400
 C                  1.33715600   12.05374600    0.76980300
 H                  1.80715800   11.15197200    1.17361700
 H                  1.42499800   12.83588800    1.53154700
 C                 -0.10597900   11.80570200    0.45104100
 C                 -0.45599000   11.00526300   -0.64552600
 C                 -1.81148500   10.87362600   -0.98750300
 C                 -2.77087100   11.48576300   -0.18237700
 H                 -3.81720800   11.37397500   -0.45786500
 C                 -2.44421700   12.24699900    0.94031700
 C                 -1.09358400   12.41387500    1.22421500
 H                 -0.79181000   13.03722900    2.06271000
 C                  1.47193500   13.63203300   -1.09908800
 H                  0.45461000   13.33170100   -1.36061800
 H                  1.39515900   14.44511200   -0.36874000
 C                  2.18590300   14.10369900   -2.33360500
 C                  2.55810900   13.19071200   -3.32769300
 C                  3.11075900   13.66252900   -4.53022500
 C                  3.29175300   15.03101600   -4.69674200
 H                  3.72085100   15.38765200   -5.63034100
 C                  2.94940500   15.95683400   -3.70914700
 C                  2.39852400   15.46722700   -2.53060000
 H                  2.11317900   16.15950200   -1.74226500
 O                  2.57571100    9.17906700   -2.84497100
 C                  3.57993600    9.27610700   -3.88279700
 C                  2.33651200    8.55543400   -4.14271300
 H                  4.47467700    8.69558300   -3.68551400
 H                  3.71216900   10.28196500   -4.25775900
 C                 -2.21384800   10.12253500   -2.22022500
 H                 -2.17736600    9.04226900   -2.07272900
 H                 -1.54238500   10.34449800   -3.04847600
 H                 -3.23334900   10.39079200   -2.51670700
 C                  3.49435700   12.68881500   -5.60686000
 H                  2.67722900   11.99704800   -5.83333700
 H                  4.35565000   12.09011100   -5.29378000
 H                  3.76716700   13.21070200   -6.52735300
 C                  3.15217900   17.43344200   -3.92999300
 H                  2.42673100   17.83047600   -4.64881900
 H                  4.14938200   17.64409500   -4.32873400
 H                  3.03686700   17.99331400   -2.99820300
 C                 -3.51254500   12.86646700    1.80318100
 H                 -3.13667400   13.74614200    2.33334600
 H                 -3.87179600   12.15787800    2.55830400
 H                 -4.37747100   13.17243900    1.20751800
 C                  4.95934600    8.08620200    0.47945300
 H                  5.38846400    8.01744000   -0.52814000
 H                  3.94110700    7.68456400    0.42451000
 H                  5.54415700    7.43704900    1.13162300
 C                  6.41623900   11.53928700    3.86409200
 H                  7.48853600   11.60759100    3.65143900
 H                  6.28700500   10.78769000    4.64804100
 H                  6.09437800   12.50499200    4.26163200
 H                  2.40259000    7.47300000   -4.11357000
 C                  1.22063100    9.10596200   -4.96151700
 H                  1.38133900    8.88467200   -6.01787800
 H                  1.13304600   10.17892300   -4.79692400
 O                 -0.05326200    8.47849600   -4.65429500
 C                  0.02224000    7.14316600   -4.13720500
 O                  0.01240000    7.06510400   -2.87599800
 O                  0.13877700    6.25369800   -4.95694000
 Al                -1.58892500    8.92713200   -6.03625200
 N                 -3.12214400    9.39710000   -7.30629600
 O                 -1.39482700   10.58274300   -5.42435600
 O                 -2.51499900    7.72428600   -5.13785600
 O                 -0.48101700    8.42383900   -7.32632500
 C                 -2.92657900   10.78238900   -7.82252100
 C                 -4.41809000    9.31180700   -6.57423300
 C                 -3.12271600    8.43486200   -8.44479500
 C                 -2.15366700   11.67152200   -5.60152900
 C                 -3.74876000    7.24539800   -5.30292100
 C                 -0.61193900    8.45731900   -8.65611400
 H                 -1.96409400   10.79405600   -8.34237700
 H                 -3.70301300   10.99000200   -8.56841700
 C                 -2.94486500   11.83248800   -6.74817000
 H                 -4.36847300   10.03580000   -5.75516200
 H                 -5.22025000    9.63677600   -7.24764300
 C                 -4.72315400    7.94476500   -6.02673700
 H                 -3.25322200    7.43563200   -8.01801700
 H                 -3.99885400    8.63843800   -9.07212200
 C                 -1.86948700    8.48739600   -9.27503000
 C                 -2.15649000   12.67240300   -4.61356300
 C                 -4.06527500    6.00063600   -4.72975600
 C                  0.55070300    8.46129200   -9.45032100
 C                 -3.72457900   12.97767200   -6.90112800
 C                 -5.99216800    7.38884800   -6.19522000
 C                 -1.95600000    8.53369800  -10.66656800
 C                 -2.93318600   13.80977300   -4.81214000
 C                 -1.35271500   12.49540200   -3.35666800
 C                 -5.34474800    5.48669300   -4.90754200
 C                 -3.01021700    5.26501500   -3.95382800
 C                  0.42231300    8.49341500  -10.83378200
 C                  1.89746300    8.43765500   -8.78414000
 C                 -3.72829600   13.98871200   -5.94600000
 H                 -4.34083300   13.07679100   -7.79165800
 C                 -6.32898200    6.16024700   -5.63828700
 H                 -6.73159800    7.93886700   -6.77281900
 C                 -0.82160600    8.53197900  -11.47007100
 H                 -2.94011900    8.56942700  -11.12759200
 H                 -2.92529400   14.58141800   -4.04485700
 H                 -0.42895900   11.94464900   -3.54267200
 H                 -1.91626100   11.92760400   -2.60745300
 H                 -1.10180000   13.46519700   -2.91893200
 H                 -5.58228200    4.52052000   -4.46693800
 H                 -2.67687200    5.84572500   -3.08844200
 H                 -2.11678000    5.09436800   -4.56043700
 H                 -3.38965600    4.30258900   -3.59875000
 H                  1.32557700    8.49527300  -11.44037900
 H                  1.97182800    7.61043200   -8.07166600
 H                  2.07707900    9.36093600   -8.22223200
 H                  2.69695300    8.33199200   -9.52196700
 C                 -4.54465100   15.24258500   -6.12721500
 C                 -7.70561300    5.56899600   -5.80590200
 C                 -0.91744100    8.57926500  -12.97358100
 H                 -3.90412300   16.10551700   -6.34169400
 H                 -5.11538200   15.48206900   -5.22452000
 H                 -5.25093300   15.14144000   -6.95549100
 H                 -8.29487900    6.13575200   -6.53167800
 H                 -8.25708300    5.56788700   -4.85888000
 H                 -7.65518200    4.53079700   -6.14976100
 H                 -0.42680700    7.71493500  -13.43361700
 H                 -0.43420000    9.47610700  -13.37630400
 H                 -1.95978400    8.58599900  -13.30314600
 H                  3.91425300    9.35868800   -1.25223400
 
 B 75 41 S 6 -0.281
 B 72 73 F
 






