%chk=Test.chk
%nprocshared=12
%mem=20GB
#p opt(noeigentest) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.81121700   10.55214800   -1.64726400
 N                  2.12073200   12.35921600   -0.77660500
 O                  3.68516500   10.14812300   -1.35683400
 O                  0.70946800    9.95209000   -0.42794300
 O                  1.42324800   11.20752600   -3.21691100
 C                  3.45225700   12.94133500   -1.11600200
 H                  3.53526700   12.96755000   -2.20584400
 H                  3.47885700   13.97509600   -0.75923700
 C                  4.60742700   12.18156400   -0.52757500
 C                  4.72023300   10.81083700   -0.67127100
 C                  5.77231700   10.06409100   -0.15562400
 C                  6.76214100   10.76735900    0.52304600
 H                  7.59941000   10.21267800    0.93539200
 C                  6.70322200   12.15014300    0.69973000
 C                  5.61409200   12.83877300    0.17536200
 H                  5.53498600   13.91206200    0.31378700
 C                  1.98960500   12.23067700    0.71006900
 H                  2.76065400   11.53346100    1.04859900
 H                  2.20720500   13.20454700    1.15945400
 C                  0.63578500   11.74714400    1.14884600
 C                  0.07469000   10.60789900    0.56365300
 C                 -1.16945800   10.13269400    1.00769200
 C                 -1.81595800   10.81576400    2.03119300
 H                 -2.77779600   10.44328400    2.37519900
 C                 -1.27941900   11.96056400    2.62533600
 C                 -0.05047000   12.41406500    2.16270700
 H                  0.39470500   13.30440000    2.59806500
 C                  1.05888200   13.29275400   -1.27211300
 H                  0.09807800   12.86848300   -0.97220600
 H                  1.17308600   14.24222100   -0.73937300
 C                  1.07375900   13.52863600   -2.75677500
 C                  1.21605200   12.46449200   -3.64900600
 C                  1.14294900   12.68725200   -5.03238500
 C                  0.89387400   13.97482100   -5.48535600
 H                  0.81182400   14.14239300   -6.55628400
 C                  0.74685800   15.05816400   -4.61502400
 C                  0.84996500   14.81388100   -3.25244900
 H                  0.73816800   15.63338700   -2.54748800
 O                  1.95948500    8.75168500   -2.41106500
 C                  1.98904100    8.36015600   -3.82152400
 C                  0.99618000    7.77934900   -2.92678600
 H                  2.88222100    7.80395000   -4.07881200
 H                  1.67784600    9.15681000   -4.48470000
 C                 -1.77944200    8.92122800    0.36457500
 H                 -1.07151300    8.08885800    0.33376100
 H                 -2.06666200    9.13521700   -0.66873000
 H                 -2.67238100    8.60186200    0.90578400
 C                  1.31219600   11.53090800   -5.97319400
 H                  0.58761200   10.74208000   -5.75728900
 H                  2.30838000   11.08795100   -5.87231200
 H                  1.18500300   11.84722800   -7.01068200
 C                  0.49220900   16.44137000   -5.15487400
 H                 -0.28776500   16.42594400   -5.92114900
 H                  1.39312400   16.85868200   -5.61734900
 H                  0.17799400   17.12649300   -4.36405900
 C                 -2.02241300   12.67825700    3.72225600
 H                 -1.42846700   13.49917600    4.13040600
 H                 -2.26908600   11.99891900    4.54365900
 H                 -2.96418500   13.09714000    3.35360400
 C                  5.82411900    8.57095400   -0.32652700
 H                  5.88027300    8.28264700   -1.38287300
 H                  4.94785800    8.08398200    0.11505000
 H                  6.70796000    8.16440200    0.16463200
 C                  7.79603700   12.86693600    1.44539500
 H                  8.74703200   12.78810600    0.91039400
 H                  7.94336900   12.43006900    2.43697200
 H                  7.56405100   13.92633100    1.56937900
 H                  1.18298100    6.79523000   -2.51540400
 C                 -0.44103700    8.22586900   -3.02650500
 H                 -0.49704100    9.30958600   -3.11119300
 H                 -1.00713000    7.88426500   -2.16218400
 O                 -0.99760600    7.69002800   -4.21490400
 C                 -1.14773400    6.11411500   -4.24807900
 O                 -1.23317700    5.73749800   -5.39320900
 O                 -1.12503100    5.64584500   -3.13027100
 Al                -1.80020300    8.73933800   -5.65464700
 N                 -2.66962100    9.86126200   -7.26899600
 O                 -1.72112500   10.21782700   -4.65693800
 O                 -3.33060900    7.84786600   -5.44445500
 O                 -0.37065700    8.43519800   -6.67703800
 C                 -2.07219000   11.21959600   -7.32201900
 C                 -4.13909500    9.98256400   -7.07981700
 C                 -2.39970400    9.16074500   -8.55159600
 C                 -2.08607900   11.48696000   -4.81871400
 C                 -4.39126200    7.65496300   -6.22188500
 C                 -0.01348600    8.67681300   -7.93175300
 H                 -0.99990900   11.09290900   -7.48359500
 H                 -2.47130900   11.74625900   -8.19856800
 C                 -2.29920600   12.04389000   -6.08578900
 H                 -4.29680700   10.48216900   -6.11994300
 H                 -4.54531600   10.63447700   -7.86368300
 C                 -4.84870400    8.65997400   -7.08353200
 H                 -2.81447900    8.15219300   -8.46082700
 H                 -2.94903200    9.66578200   -9.35665600
 C                 -0.94106200    9.07931700   -8.90357500
 C                 -2.25218800   12.29172200   -3.67490900
 C                 -5.07741100    6.42592500   -6.16682000
 C                  1.34003900    8.52362900   -8.29703200
 C                 -2.64922100   13.38955100   -6.20054500
 C                 -5.95374300    8.43026600   -7.90162600
 C                 -0.51459900    9.35900300  -10.20114700
 C                 -2.57904100   13.63141700   -3.83107300
 C                 -2.05257600   11.68062300   -2.31820700
 C                 -6.18120800    6.23719100   -6.99015500
 C                 -4.59259800    5.36053300   -5.22535500
 C                  1.72304400    8.79541800   -9.60480200
 C                  2.33590800    8.07381500   -7.26583900
 C                 -2.78149900   14.20953300   -5.08663400
 H                 -2.80514300   13.80547000   -7.19303000
 C                 -6.63994000    7.22107300   -7.87138900
 H                 -6.27982500    9.21787400   -8.57661800
 C                  0.81670200    9.22416400  -10.57799300
 H                 -1.24851500    9.68710900  -10.93318500
 H                 -2.67987000   14.24815800   -2.94090100
 H                 -1.05706400   11.24011700   -2.23120400
 H                 -2.76731300   10.87098800   -2.14003200
 H                 -2.17322200   12.42586400   -1.52864300
 H                 -6.70093400    5.28227700   -6.94998500
 H                 -3.53606100    5.14261200   -5.40012000
 H                 -5.17475400    4.44264500   -5.33790000
 H                 -4.67160400    5.69126500   -4.18412100
 H                  2.76946200    8.67034600   -9.87495400
 H                  1.91035600    7.29519300   -6.62862100
 H                  2.62514000    8.90197000   -6.61086800
 H                  3.24339000    7.69077300   -7.73881100
 C                 -3.14743800   15.66590400   -5.21373300
 C                 -7.84380900    6.97094900   -8.74401800
 C                  1.27545500    9.52039400  -11.98330500
 H                 -3.00321000   16.02355600   -6.23616700
 H                 -2.53844700   16.28703300   -4.55056300
 H                 -4.19632200   15.83972200   -4.94911600
 H                 -7.95017500    7.74823000   -9.50476200
 H                 -8.76813200    6.95358200   -8.15633000
 H                 -7.76878900    6.00717400   -9.25647800
 H                  1.70214400    8.63152500  -12.45928700
 H                  2.04826500   10.29550400  -11.99554100
 H                  0.44602500    9.86500500  -12.60548600
 H                  3.91530600    9.22892200   -1.56113700
 O                 -2.97468366    9.09271219   -4.19046742
 H                 -2.75707168    8.77170959   -3.31228614
 C                 -4.17815807    9.83544042   -4.40237339
 H                 -4.96823969    9.16547808   -4.67036873
 H                 -4.02684443   10.54222724   -5.19133256
 C                 -4.55485853   10.58230156   -3.10935553
 O                 -5.88218592   11.18605110   -3.22359406
 C                 -5.65590715   10.06925916   -2.30428085
 H                 -6.17946343    9.17054714   -2.60683376
 H                 -5.71141773   10.36398395   -1.26439710
 H                 -3.83572354   11.20816217   -2.62351259
 






