%chk=Alkoxide-2Al.chk
%nprocshared=12
%mem=20GB
#p opt=(noeigentest) iop(1/8=10) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.70706700   10.90471300    1.97250800
 N                  2.10692600   12.41242700    0.44867700
 O                  4.13224500   10.56283800    0.93055600
 O                  1.16306000   10.00115400    1.50180300
 O                  2.77758500   12.33822900    3.09027100
 C                  3.31448800   13.13930000   -0.01266800
 H                  3.79928000   13.58124600    0.85950200
 H                  3.00551600   13.96666100   -0.66612900
 C                  4.29393100   12.26158200   -0.74002600
 C                  4.65726300   11.02101000   -0.19355800
 C                  5.60051800   10.22440100   -0.88063600
 C                  6.15053500   10.69112800   -2.06742000
 H                  6.87504600   10.06720200   -2.58694200
 C                  5.79986300   11.92620000   -2.62176200
 C                  4.86175400   12.69064300   -1.93949900
 H                  4.55205200   13.64948400   -2.34895400
 C                  1.48749500   11.78376400   -0.73019300
 H                  2.22852000   11.10480500   -1.16186000
 H                  1.28551900   12.55790500   -1.48359900
 C                  0.23650300   11.00016400   -0.46447600
 C                  0.20518200   10.05289600    0.56860400
 C                 -0.84799600    9.10933400    0.58030500
 C                 -1.88464800    9.24231100   -0.33909900
 H                 -2.69054700    8.51203700   -0.31152400
 C                 -1.92453000   10.25638700   -1.29666600
 C                 -0.83079400   11.10996300   -1.35505300
 H                 -0.78506200   11.87390600   -2.12727700
 C                  1.13210700   13.35190800    1.06174400
 H                  0.34179400   12.74347700    1.51272800
 H                  0.66847400   13.96576400    0.27785100
 C                  1.77452000   14.24250900    2.08095800
 C                  2.63362800   13.65452900    3.02009200
 C                  3.37837600   14.48727000    3.87538800
 C                  3.18427400   15.86445800    3.81688400
 H                  3.75885700   16.49781600    4.48925900
 C                  2.29188400   16.45994100    2.92336100
 C                  1.60805100   15.62282700    2.04525800
 H                  0.94337200   16.05205400    1.29898100
 O                  3.20313900    9.75259700    3.24806500
 C                  2.44665600   10.37307500    5.46322200
 C                  2.78323400    9.25970700    4.46380200
 H                  3.17622600   11.17635900    5.41244800
 H                  1.46035900   10.79019700    5.27691900
 C                 -0.83859600    7.92977000    1.51756100
 H                  0.17038700    7.52250100    1.62442000
 H                 -1.17499100    8.18590900    2.52487200
 H                 -1.48844100    7.14187000    1.12917700
 C                  4.37368000   13.88208600    4.82012700
 H                  3.91999600   13.09529000    5.42580300
 H                  5.20140700   13.40808500    4.28058600
 H                  4.79815000   14.63328200    5.49010000
 C                  2.06958900   17.95052100    2.91749900
 H                  1.25614700   18.23472800    3.59440400
 H                  2.96533300   18.48683800    3.24238400
 H                  1.80275300   18.31080200    1.92020000
 C                 -3.08547400   10.38170100   -2.24894500
 H                 -3.25833300    9.44589200   -2.79009700
 H                 -4.01328300   10.62366700   -1.72033000
 H                 -2.90906500   11.16762400   -2.98718800
 C                  5.97612300    8.88852000   -0.30612800
 H                  6.35149300    8.99201600    0.71628300
 H                  5.10948800    8.22163700   -0.25201500
 H                  6.74527400    8.40283000   -0.91180100
 C                  6.42956000   12.40044900   -3.90705000
 H                  7.49336800   12.62294400   -3.76935500
 H                  6.36093200   11.63998100   -4.69073900
 H                  5.94554700   13.30830400   -4.27427800
 H                  3.59832700    8.66116700    4.90867500
 C                  1.57514100    8.34282300    4.35011600
 H                  1.79530600    7.55722000    3.61364800
 H                  1.38659700    7.87967500    5.31720600
 O                  0.41048600    9.06126100    3.99900500
 H                  0.56754400    9.40598200    3.10305000
 O                  2.43195900    9.84239000    6.83926600
 C                  3.74252900    9.90879800    7.43181400
 H                  3.81813300    9.09047400    8.14670400
 H                  4.48662100    9.74444900    6.65109900
 Al                 0.70891400    9.96668300    7.87625000
 O                  1.68303500    9.54399400    9.47979500
 O                  0.77429800   11.69548900    7.57035700
 O                  0.02229700    8.57427600    7.06340900
 C                  1.28417000    8.91679700   10.67634700
 C                 -0.01287900   12.73196800    7.90953900
 C                 -1.24983000    8.17498100    6.86956300
 C                 -0.06799000    8.73656400   10.93891500
 C                  2.27779400    8.50441800   11.56682700
 C                 -0.87333400   12.66487000    9.00847900
 C                  0.02374500   13.89401500    7.12157200
 C                 -2.32991000    8.93904900    7.33563000
 C                 -1.50782800    6.94029200    6.24634200
 C                 -1.17750300    9.02024300    9.96116000
 C                 -0.42281000    8.14341200   12.15067800
 C                  1.87099200    7.91377300   12.75760400
 C                  3.74068600    8.69302100   11.27456600
 C                 -0.91853900   11.42124000    9.84964400
 C                 -1.68308200   13.75489500    9.32093900
 C                 -0.78944100   14.96638400    7.47170500
 C                  0.94204900   13.94795700    5.93632000
 C                 -2.10492300   10.22866300    8.07796900
 C                 -3.63791000    8.50996100    7.12310500
 C                 -2.82933200    6.55189100    6.04658300
 C                 -0.39420000    6.03709300    5.79601400
 N                 -0.96583700   10.16548500    9.04561900
 H                 -1.32283800    8.12709700    9.35214800
 H                 -2.10888100    9.18577400   10.51208500
 C                  0.52705800    7.72427300   13.07199000
 H                 -1.47757900    8.00153500   12.36548100
 H                  2.63408400    7.58761700   13.45786500
 H                  4.00222300    8.36759800   10.26433100
 H                  4.03242000    9.74186000   11.38089400
 H                  4.34082500    8.11575100   11.97802300
 H                 -0.03487900   11.36483000   10.49221800
 H                 -1.79664400   11.44438800   10.50380400
 C                 -1.65039200   14.92387400    8.56993900
 H                 -2.35624400   13.68152600   10.17086400
 H                 -0.75861800   15.86390600    6.85845800
 H                  1.98645900   13.90635700    6.25558300
 H                  0.78926300   13.10005300    5.26276000
 H                  0.79992300   14.87163300    5.37261500
 H                 -1.89644500   11.04004300    7.37545600
 H                 -3.01157800   10.50230100    8.62666700
 C                 -3.91565600    7.32322100    6.45763500
 H                 -4.45450200    9.12061100    7.49915500
 H                 -3.01395400    5.59855400    5.55728700
 H                 -0.07930000    6.28027600    4.77865700
 H                  0.47988600    6.12499500    6.44479400
 H                 -0.72606600    4.99603300    5.79971700
 C                  0.12690400    7.05823400   14.36003500
 C                 -2.51138400   16.11003900    8.92291800
 C                 -5.33063100    6.88145600    6.19063200
 H                  0.34075500    5.98552800   14.32158700
 H                  0.67975600    7.47225500   15.20715100
 H                 -0.94034800    7.18130200   14.55414900
 H                 -1.90689000   16.93337700    9.31730600
 H                 -3.04425400   16.49080500    8.04695800
 H                 -3.25199700   15.84896000    9.68228400
 H                 -5.59804300    7.03920300    5.14056100
 H                 -5.46464400    5.81718200    6.40378000
 H                 -6.04195900    7.44276900    6.80123600
 C                  3.98369100   11.24118300    8.07497800
 C                  4.86820700   11.33472900    9.23121500
 O                  3.43894100   11.38434800    9.40655500
 H                  3.81989800   12.11959500    7.45892600
 H                  5.34770500   10.43797300    9.60930800
 H                  5.36078800   12.27509400    9.44832700
 H                  2.43584400   10.19540400    9.63220800
 






