%chk=Ensemble-CC.chk
%nprocshared=8
%mem=20GB
#p opt=(noeigentest) iop(1/8=10) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.10233632    9.25780983    1.53682766
 N                  2.40249972   10.27035109    0.09040069
 O                  2.60905482    8.57211786    2.27028062
 O                  0.36214898    8.33429573    0.19576861
 O                  0.36055141   10.84758987    1.89936818
 C                  3.64113027   10.74269339    0.76203110
 H                  3.33588478   11.39665427    1.58542449
 H                  4.21699784   11.35538451    0.05604004
 C                  4.50670005    9.63365374    1.28735268
 C                  3.92193805    8.60046783    2.02197304
 C                  4.72564736    7.56377505    2.52591580
 C                  6.09767013    7.61676500    2.31525667
 H                  6.71599021    6.82034781    2.72326848
 C                  6.70667155    8.64980179    1.59662729
 C                  5.88556089    9.64431430    1.07751344
 H                  6.32067754   10.45621941    0.50001948
 C                  2.75163008    9.32145533   -0.99839411
 H                  3.23956423    8.45853686   -0.53784434
 H                  3.48711155    9.79584451   -1.66145101
 C                  1.56312045    8.86343096   -1.79614282
 C                  0.42993993    8.37672635   -1.12768829
 C                 -0.67084030    7.92283171   -1.88326660
 C                 -0.60275417    7.96318609   -3.27087791
 H                 -1.45794836    7.61144803   -3.84392489
 C                  0.51906204    8.44323201   -3.95241964
 C                  1.59001050    8.89580360   -3.18948649
 H                  2.47467199    9.28790743   -3.68553290
 C                  1.70105656   11.43877240   -0.49940832
 H                  0.77915297   11.06559882   -0.95300913
 H                  2.31689479   11.85966787   -1.30509656
 C                  1.37866134   12.49536849    0.51412782
 C                  0.70140925   12.11362296    1.68168562
 C                  0.37829722   13.09537890    2.63844216
 C                  0.74640765   14.41573708    2.40086824
 H                  0.49995826   15.16584379    3.14932032
 C                  1.42419548   14.81118294    1.24496202
 C                  1.73709357   13.82572413    0.31372880
 H                  2.27524465   14.09333599   -0.59246244
 O                  0.51809500    8.98958500    5.10416900
 C                  0.78796153    7.10077511    6.15250453
 C                  1.06292500    8.61688900    6.36987600
 C                 -1.89002742    7.41997377   -1.16386001
 H                 -1.63963818    6.59216613   -0.49389816
 H                 -2.32945263    8.20323243   -0.53797140
 H                 -2.64924207    7.07672909   -1.87068000
 C                 -0.35356760   12.68628971    3.88475747
 H                 -1.41738398   12.51829069    3.68056858
 H                  0.03613470   11.73897012    4.25956493
 H                 -0.27700078   13.45515342    4.65786742
 C                  1.78551536   16.25601924    1.01114703
 H                  0.94488985   16.81451993    0.58421119
 H                  2.06356831   16.75331266    1.94446113
 H                  2.62479161   16.34765986    0.31694225
 C                  0.56657590    8.44812349   -5.45928488
 H                  0.73599253    7.44098261   -5.85597969
 H                 -0.37306769    8.80948728   -5.88746655
 H                  1.37263269    9.08740992   -5.82820656
 C                  4.08816822    6.41691963    3.25588973
 H                  3.34952301    6.76138920    3.98122919
 H                  3.56247265    5.75675897    2.55653912
 H                  4.84150369    5.82449913    3.78004601
 C                  8.19758507    8.65978178    1.37920885
 H                  8.73677344    8.53455689    2.32319740
 H                  8.50865769    7.84415607    0.71782206
 H                  8.52626090    9.59814320    0.92608009
 H                  0.49921300    9.22786600    7.08020000
 C                  2.50174800    9.10110000    6.38146600
 H                  2.51827900   10.19522900    6.27603900
 H                  2.93781900    8.84095400    7.34735200
 O                  3.27573700    8.47262600    5.38815700
 H                  2.91374600    8.68743800    4.51486300
 O                  1.37681890    6.92182713    8.08696172
 C                  0.35966490    7.29508313    9.03900572
 H                  0.87271590    7.61453713    9.94640472
 H                 -0.18642310    8.15184813    8.64501372
 Al                 2.67266290    5.39158513    8.31014272
 O                  2.54545090    5.55664513   10.20642872
 O                  1.34340090    4.39090613    7.74406772
 O                  3.89951290    6.34502813    7.49779772
 C                  3.44253390    5.18298413   11.23005672
 C                  1.22315890    3.08327613    7.46982872
 C                  5.08564190    6.00892513    6.95129472
 C                  4.55942490    4.41868113   10.92050672
 C                  3.15987590    5.60441113   12.53046672
 C                  2.10602490    2.14771513    8.01196972
 C                  0.18486490    2.66463113    6.62137472
 C                  5.43335890    4.66652413    6.75146672
 C                  6.00857490    7.01571913    6.61607872
 C                  5.00161190    4.07241613    9.52295172
 C                  5.39858690    4.04200213   11.96985172
 C                  4.03195790    5.20880713   13.53781472
 C                  1.96002890    6.45234413   12.84925872
 C                  3.16121390    2.59144613    8.98511072
 C                  1.97525390    0.79990613    7.67896772
 C                  0.07680790    1.31132413    6.32507472
 C                 -0.77615810    3.68185413    6.07248972
 C                  4.50789390    3.56707313    7.19231572
 C                  6.65403590    4.33875813    6.16420372
 C                  7.20976890    6.64769013    6.01876072
 C                  5.71525390    8.46150313    6.89187772
 N                  3.91622390    3.80440513    8.54951472
 H                  5.59730490    4.90369613    9.14158672
 H                  5.66053690    3.19887713    9.55928272
 C                  5.15368790    4.42178613   13.28203572
 H                  6.27217190    3.44027213   11.73932072
 H                  3.82656790    5.52972213   14.55470072
 H                  1.84176690    7.27436313   12.13859072
 H                  1.04093690    5.85999813   12.84155572
 H                  2.06131790    6.88299313   13.84584472
 H                  2.70263990    2.82616813    9.95045372
 H                  3.88047190    1.78349513    9.15332472
 C                  0.96393190    0.35824513    6.83512072
 H                  2.68087090    0.08566213    8.09475772
 H                 -0.72352010    0.98693213    5.66443672
 H                 -1.32652210    4.17088413    6.88281572
 H                 -0.26044210    4.47219513    5.52028572
 H                 -1.50184910    3.21141113    5.40498172
 H                  3.67230890    3.46162313    6.49388572
 H                  5.04096590    2.61141713    7.20744572
 C                  7.55213390    5.31932413    5.76430672
 H                  6.90112390    3.29012713    6.02283472
 H                  7.91308790    7.43327113    5.75329172
 H                  5.06154890    8.86698613    6.11663072
 H                  5.20994590    8.58642913    7.85233972
 H                  6.64028190    9.04277713    6.90640772
 C                  6.06919290    4.00890913   14.40228672
 C                  0.81827390   -1.09762687    6.47461472
 C                  8.85596790    4.97178713    5.09494172
 H                  6.47655990    4.88491213   14.91513972
 H                  5.53106790    3.41553013   15.14711172
 H                  6.90492990    3.41250213   14.03171472
 H                 -0.13661410   -1.50073887    6.82670372
 H                  0.85081190   -1.24356287    5.39068372
 H                  1.61738390   -1.69623287    6.91789972
 H                  8.84774190    5.26471713    4.03995572
 H                  9.69639190    5.48797413    5.56809172
 H                  9.05010090    3.89763413    5.13946572
 C                 -0.61801010    6.18838113    9.30553072
 C                 -1.21616210    6.08988713   10.63273472
 O                 -0.17665010    5.17316213   10.23482072
 H                 -1.14419310    5.78039613    8.45035772
 H                 -0.93226510    6.80473313   11.39838872
 H                 -2.18567610    5.61837913   10.74336372
 H                  1.58361090    5.45031613   10.50070272
 C                  0.32992200    8.15006400    4.03371600
 O                  0.09165921    8.30609652    2.79352012
 O                  0.42923547    6.99623689    4.81366647
 H                  1.67171699    6.52989388    6.34736579
 H                 -0.01451724    6.77366204    6.78013888
 






