%chk=Scan-RO.chk
%nprocshared=8
%mem=20GB
#p opt=(modredundant,noeigentest) wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

-1 1
 Al                 2.60129700   10.65106500    2.04731900
 N                  1.80133900   11.94815900    0.33357000
 O                  4.18958100   10.84724900    1.20906000
 O                  1.33955300    9.42990400    1.48512400
 O                  1.99223700   12.00760000    3.07955100
 C                  2.79715700   12.99621900    0.01504700
 H                  3.01325700   13.53058700    0.94400100
 H                  2.35828000   13.72138700   -0.68489100
 C                  4.06850400   12.44066400   -0.55664700
 C                  4.69100900   11.37160800    0.10448600
 C                  5.88908600   10.84601800   -0.42308600
 C                  6.42254200   11.40211800   -1.58051000
 H                  7.34699600   10.98873400   -1.97837900
 C                  5.81017000   12.46307500   -2.25290100
 C                  4.62474500   12.96254000   -1.72201600
 H                  4.11561900   13.78249300   -2.22352900
 C                  1.58431900   11.10189800   -0.85270700
 H                  2.52598400   10.58959200   -1.06795200
 H                  1.35517900   11.73418400   -1.72252500
 C                  0.49833400   10.08463200   -0.67568300
 C                  0.47209600    9.25856900    0.46583600
 C                 -0.49097200    8.20834500    0.49522900
 C                 -1.40374100    8.08677700   -0.54758900
 H                 -2.13831200    7.28593900   -0.49757700
 C                 -1.41604600    8.94148800   -1.64667300
 C                 -0.44428500    9.92844400   -1.69020300
 H                 -0.40451500   10.60412400   -2.54129400
 C                  0.52100200   12.57746000    0.72763800
 H                 -0.15926300   11.77447200    1.02393600
 H                  0.07621000   13.07576800   -0.14569700
 C                  0.66197600   13.55741100    1.85390500
 C                  1.41163300   13.19248200    2.97958000
 C                  1.56720500   14.12323600    4.02837300
 C                  0.94428500   15.36211800    3.93193000
 H                  1.07252600   16.07312700    4.74554900
 C                  0.17569000   15.73219200    2.82482300
 C                  0.05780500   14.81136600    1.78975700
 H                 -0.51061500   15.07249300    0.90007600
 O                  3.39135500    9.71963200    3.37545800
 C                  3.33763400   10.27945700    5.14433700
 C                  3.02255700    8.82579200    4.61256100
 H                  4.36622700   10.55168900    4.92465700
 H                  2.58173100   10.98181800    4.83903800
 C                 -0.51330500    7.19672500    1.60416400
 H                  0.41298500    6.61457900    1.62097000
 H                 -0.61652500    7.66370900    2.58332200
 H                 -1.34485600    6.50020100    1.47198700
 C                  2.40835200   13.75503800    5.21868200
 H                  1.89681400   13.04132100    5.87275300
 H                  3.33556800   13.26983700    4.90362900
 H                  2.65546600   14.64029300    5.80999800
 C                 -0.48350500   17.08651300    2.75758500
 H                 -1.22712400   17.21036400    3.55182500
 H                  0.24764100   17.89338000    2.87082100
 H                 -0.99266100   17.22978100    1.80127800
 C                 -2.43849500    8.78266500   -2.74288800
 H                 -2.36620300    7.79925300   -3.21860800
 H                 -3.45754700    8.88073000   -2.35501000
 H                 -2.30411800    9.53924700   -3.52001500
 C                  6.54886100    9.69464400    0.28151000
 H                  6.84277200    9.96780700    1.29986200
 H                  5.86047600    8.84936400    0.37682800
 H                  7.43895900    9.36048600   -0.25723600
 C                  6.38544100   13.00541100   -3.53705500
 H                  7.47838400   13.03435600   -3.50482000
 H                  6.10272400   12.38471800   -4.39484700
 H                  6.02732000   14.01912600   -3.73452600
 H                  3.82586900    8.09321900    4.65873200
 C                  1.67855100    8.21948800    4.37276900
 H                  1.70626500    7.91752400    3.32784500
 H                  1.53447700    7.31964200    4.98242300
 O                  0.59077700    9.10173800    4.58038300
 H                  0.40805800    9.49025400    3.71865500
 O                  3.25891500   10.42680400    6.64271700
 C                  4.17390200    9.61678600    7.29940500
 H                  5.20636300    9.75833300    6.92773900
 H                  4.16826600    9.86101200    8.36741600
 H                  3.94292100    8.54039400    7.20356900
 
 A 39 41 40 S 4 -3.0





