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

Dimer

-1 1
 Al                 2.62085500   10.66416900    1.95581000
 N                  1.79405200   11.94719600    0.30113700
 O                  4.17175400   10.75023100    1.03995600
 O                  1.30829800    9.47679500    1.45186800
 O                  2.16475500   12.04940200    3.03261400
 C                  2.78283000   12.99306400   -0.04971300
 H                  3.01625200   13.54242700    0.86580900
 H                  2.32591300   13.70666900   -0.74990100
 C                  4.04913900   12.44145500   -0.64130100
 C                  4.67298400   11.34379400   -0.02893100
 C                  5.87628000   10.84842400   -0.57829500
 C                  6.41494500   11.46161600   -1.70223100
 H                  7.34172500   11.06917300   -2.11581400
 C                  5.80406000   12.55535400   -2.32323500
 C                  4.61509100   13.02322900   -1.77521700
 H                  4.10646400   13.86506900   -2.23956100
 C                  1.51476800   11.12859600   -0.89533000
 H                  2.44874800   10.63842900   -1.18298700
 H                  1.22895700   11.78857000   -1.72695000
 C                  0.45511000   10.08271600   -0.70053300
 C                  0.46093200    9.27102400    0.44301900
 C                 -0.45263000    8.19563400    0.51683100
 C                 -1.37350500    8.01511500   -0.50891100
 H                 -2.07691600    7.18877800   -0.43360300
 C                 -1.42659800    8.84948800   -1.62734900
 C                 -0.49243700    9.87439000   -1.70266100
 H                 -0.48823700   10.53481200   -2.56653800
 C                  0.53588700   12.57714400    0.76121400
 H                 -0.12681400   11.77277300    1.09254600
 H                  0.04669800   13.07285700   -0.08913400
 C                  0.73547800   13.56611100    1.87222600
 C                  1.55363900   13.22164200    2.95954000
 C                  1.74461800   14.17017200    3.98934600
 C                  1.09955000   15.39898700    3.91074200
 H                  1.25832000   16.11983800    4.71023700
 C                  0.26958600   15.74690600    2.84193600
 C                  0.11133600   14.81115400    1.82626600
 H                 -0.50881700   15.05260100    0.96602500
 O                  3.32135000    9.59361100    3.19953000
 C                  3.00829300   10.27415300    5.47307600
 C                  3.00326400    9.12249700    4.46006600
 H                  3.95523600   10.82414400    5.37042500
 H                  2.19303300   10.95036600    5.22400500
 C                 -0.40471400    7.24324300    1.67928400
 H                  0.60406600    6.83917400    1.80760500
 H                 -0.66636900    7.72867400    2.62308800
 H                 -1.09184400    6.40866400    1.52082100
 C                  2.64504600   13.83808300    5.14612900
 H                  2.17928400   13.11621200    5.82419300
 H                  3.57535600   13.38290300    4.79721300
 H                  2.88466700   14.73509900    5.72263500
 C                 -0.42664900   17.08347300    2.80367000
 H                 -1.20711400   17.14791000    3.56951000
 H                  0.27274400   17.90521100    2.98580100
 H                 -0.90055600   17.25428300    1.83382900
 C                 -2.45264600    8.62978700   -2.70972000
 H                 -2.32448600    7.65493100   -3.19170500
 H                 -3.46994500    8.65935300   -2.30665100
 H                 -2.37920100    9.39648100   -3.48500400
 C                  6.53543100    9.66537700    0.07214200
 H                  6.77265700    9.87245300    1.12006400
 H                  5.87049400    8.79593000    0.07355100
 H                  7.45847300    9.39463500   -0.44637400
 C                  6.42044000   13.19772300   -3.54024600
 H                  7.37640200   13.67569900   -3.30114700
 H                  6.61641700   12.46156700   -4.32619800
 H                  5.76222300   13.96414300   -3.95707400
 H                  3.77323300    8.39254800    4.76883200
 C                  1.67905900    8.35744000    4.51521400
 H                  1.75675800    7.46920900    3.87174100
 H                  1.50788800    8.01732300    5.54153800
 O                  0.56113000    9.14103600    4.14411200
 H                  0.66735200    9.30376300    3.19449800
 O                  2.81535500    9.88053000    6.82319400
 C                  3.93268300    9.25027800    7.39725400
 H                  4.84468700    9.85299400    7.27106400
 H                  3.73501100    9.13880200    8.46595000
 H                  4.12158200    8.25316300    6.97800400
 
 A 39 41 40 S 6 -5.0





