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

Dimer

0 1
 Al                 2.15974800   10.72613400    1.40582000
 N                  1.96729400   11.91683400   -0.23729800
 O                  3.48925700   11.80441100    2.10226400
 O                  1.05033700    9.51345600    0.61068800
 O                  0.86829300   11.39055800    2.54219400
 C                  2.84270700   13.12265700   -0.19814900
 H                  2.44594500   13.76843100    0.58863500
 H                  2.74666800   13.65236900   -1.15428700
 C                  4.27017500   12.79246300    0.10682800
 C                  4.51800700   12.13835900    1.32937000
 C                  5.85635200   11.87262300    1.69569300
 C                  6.88103500   12.25354100    0.82819200
 H                  7.91125600   12.03848000    1.11343400
 C                  6.64253900   12.88439600   -0.39788500
 C                  5.31649000   13.14523900   -0.74082700
 H                  5.08922700   13.63737500   -1.68552700
 C                  2.28597300   11.14382600   -1.46939900
 H                  3.34165400   10.85869700   -1.38403700
 H                  2.21042100   11.82269800   -2.32941600
 C                  1.42695600    9.92631900   -1.71466700
 C                  0.91345500    9.15507200   -0.65288900
 C                  0.17759200    7.98234300   -0.95472400
 C                 -0.01883500    7.62003700   -2.28050700
 H                 -0.58472500    6.71425900   -2.49658500
 C                  0.47588100    8.38367200   -3.34761300
 C                  1.19171300    9.53365600   -3.03711000
 H                  1.58432200   10.15250600   -3.84274900
 C                  0.53723600   12.34048200   -0.23635000
 H                 -0.06364200   11.43491500   -0.34231200
 H                  0.36430800   12.95963100   -1.12532900
 C                  0.11888200   13.10250700    0.99647300
 C                  0.26996700   12.57896200    2.30422100
 C                 -0.24968700   13.34302000    3.37762000
 C                 -0.86228600   14.57012300    3.12436900
 H                 -1.25122200   15.13261600    3.97262200
 C                 -0.99194400   15.10388100    1.84408400
 C                 -0.48517100   14.34779200    0.79723100
 H                 -0.56852800   14.72515000   -0.21999300
 O                  2.25448800    9.16480000    3.30018000
 C                  2.46720300   10.25980500    5.41810200
 C                  2.09293100    8.96211900    4.70292100
 H                  3.30699100   10.75810600    4.93098300
 H                  1.62749200   10.94245700    5.41859200
 C                 -0.36629200    7.16319100    0.18219800
 H                  0.43390200    6.84062200    0.85835400
 H                 -1.06600700    7.74622500    0.79215100
 H                 -0.88766500    6.27326500   -0.18515300
 C                 -0.14596400   12.87484000    4.79793600
 H                 -0.37354100   11.81176500    4.90900800
 H                  0.86428400   13.04079100    5.18821000
 H                 -0.83628700   13.43741000    5.43227700
 C                 -1.67023200   16.43122500    1.61450600
 H                 -2.75009700   16.36520000    1.79762000
 H                 -1.27816300   17.20483100    2.28424900
 H                 -1.53140700   16.77818500    0.58561500
 C                  0.23935900    7.95654300   -4.77580400
 H                  0.76549300    7.02272900   -5.01082100
 H                 -0.82539200    7.78138900   -4.96910500
 H                  0.58686000    8.71727900   -5.48211000
 C                  6.15619900   11.17426500    2.99154100
 H                  5.71131700   11.70613000    3.83621900
 H                  5.74402800   10.16070400    3.00748000
 H                  7.23672100   11.10850800    3.15951300
 C                  7.78647400   13.26204800   -1.30925300
 H                  8.44109100   14.01152600   -0.84798000
 H                  8.41374600   12.39517800   -1.54962200
 H                  7.41915800   13.67842100   -2.25269000
 H                  2.74941300    8.14068500    5.00168800
 C                  0.64858300    8.55140900    4.90402200
 H                  0.50217500    7.58508200    4.39978700
 H                  0.47911600    8.40258400    5.97464500
 O                 -0.28111600    9.50062100    4.44112900
 H                  0.10444900   10.00624100    3.69977900
 O                  2.81228200    9.95000600    6.80177100
 C                  4.15266700    9.41294100    6.87461000
 H                  4.16704300    8.71631100    7.71467900
 H                  4.35133400    8.85005100    5.96018300
 Al                 2.05499400   11.23927800    8.19014400
 O                  3.18873900   10.34081000    9.44823400
 O                  2.92649300   12.50295100    7.34210000
 O                  0.45197900   10.60278800    7.88452500
 C                  3.10812400   10.20905900   10.85454400
 C                  3.03881300   13.82719500    7.56884500
 C                 -0.76586100   11.03087500    8.28190000
 C                  2.14320300   10.91790900   11.55612600
 C                  4.02355000    9.35772700   11.48003100
 C                  2.84392700   14.36511000    8.84309600
 C                  3.35225300   14.66721200    6.48881000
 C                 -0.93873500   12.27188900    8.91238600
 C                 -1.88216400   10.19745700    8.08390900
 C                  1.05530900   11.73422100   10.91117400
 C                  2.11378300   10.77209600   12.94546200
 C                  3.94879600    9.24235800   12.86528100
 C                  5.06318100    8.59701100   10.70164600
 C                  2.51233100   13.46442800   10.00049600
 C                  2.96054000   15.74504200    9.03509000
 C                  3.47278100   16.03373200    6.71965200
 C                  3.55110500   14.06553900    5.13161900
 C                  0.23280300   13.18281300    9.15283700
 C                 -2.21211300   12.68352900    9.31120500
 C                 -3.13657800   10.64671100    8.48871100
 C                 -1.73209100    8.85755900    7.41921600
 N                  1.43880100   12.47018200    9.68242400
 H                  0.23184900   11.06537300   10.64889800
 H                  0.66341900   12.45476700   11.63798600
 C                  3.00307800    9.94149700   13.61889700
 H                  1.36288900   11.32294000   13.50595000
 H                  4.64961300    8.58084600   13.36809700
 H                  4.64690300    8.12621800    9.80436200
 H                  5.88573800    9.25298400   10.39334500
 H                  5.49294000    7.80776000   11.32305600
 H                  3.39538500   12.89878100   10.31601900
 H                  2.18662700   14.06512700   10.85956300
 C                  3.28402300   16.59964100    7.98543700
 H                  2.79549400   16.15296600   10.03040500
 H                  3.71948200   16.68347700    5.88107400
 H                  4.29354100   13.26459600    5.16820200
 H                  2.63862600   13.61171200    4.73101100
 H                  3.89269400   14.81574400    4.41200600
 H                  0.53011100   13.67280500    8.22227700
 H                 -0.04149700   13.97320600    9.86042900
 C                 -3.33460100   11.89018500    9.09582200
 H                 -2.31791800   13.64756600    9.80571200
 H                 -3.99413700    9.99580100    8.32691200
 H                 -1.60665200    8.98640900    6.33922800
 H                 -0.85598600    8.31909100    7.79385900
 H                 -2.61886400    8.24023300    7.58990800
 C                  2.95264600    9.79639100   15.11771000
 C                  3.42848400   18.08376100    8.19730600
 C                 -4.71572100   12.34580000    9.49231200
 H                  2.84824200    8.74522500   15.40758500
 H                  3.87338200   10.16977100   15.57942100
 H                  2.11152600   10.35177100   15.54340100
 H                  4.45287400   18.41052300    7.97891800
 H                  2.74176100   18.64665100    7.55464300
 H                  3.21476900   18.34443700    9.23585900
 H                 -5.31449100   12.59911100    8.60813600
 H                 -5.25561500   11.56256500   10.03553100
 H                 -4.67705900   13.23435300   10.13035600
 C                  5.20888900   10.47850900    7.01246400
 C                  6.41991400   10.16104900    7.76192900
 O                  5.40147100   11.00431500    8.34516600
 H                  5.23871900   11.25098500    6.25132800
 H                  6.52235600    9.17802500    8.21450600
 H                  7.34124500   10.68990000    7.53856400
 H                  4.15965200   10.44673800    9.15880600
 C                  3.44165800    8.79573000    2.70563500
 O                  3.48244800    9.28760900    1.54587000
 O                  4.24731800    8.09058800    3.28940600
 
 A 148 1 5 S 6 -7.3
 






