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

Dimer

-1 1
 Al                 2.60777000   10.69476500    1.98527100
 N                  1.79656900   11.94978000    0.30170600
 O                  4.17477200   10.79754600    1.09412100
 O                  1.31048800    9.48513800    1.50996900
 O                  2.08069900   12.07694900    3.03449300
 C                  2.78004400   12.99920000   -0.05399600
 H                  2.99244300   13.56732600    0.85544600
 H                  2.32450200   13.69471100   -0.77297000
 C                  4.06159300   12.45587400   -0.61746100
 C                  4.68891100   11.37781400    0.02375200
 C                  5.90716200   10.88841300   -0.49667200
 C                  6.45810600   11.49198300   -1.62003700
 H                  7.39733000   11.10580500   -2.01089100
 C                  5.84508700   12.56885300   -2.26801300
 C                  4.63996100   13.02890300   -1.74935400
 H                  4.12937100   13.85760600   -2.23465700
 C                  1.55238100   11.09120600   -0.87379700
 H                  2.49343600   10.59012600   -1.11613300
 H                  1.29129700   11.71970600   -1.73703000
 C                  0.48111700   10.05983800   -0.66547700
 C                  0.45853900    9.27952600    0.50077100
 C                 -0.49743600    8.24379000    0.60014100
 C                 -1.41751700    8.06360700   -0.42653100
 H                 -2.15181500    7.26722600   -0.32819100
 C                 -1.43412900    8.86212600   -1.57113500
 C                 -0.46537200    9.85195600   -1.66864000
 H                 -0.43592900   10.48885100   -2.54945900
 C                  0.52524700   12.58642000    0.71617500
 H                 -0.14763500   11.78797700    1.04041800
 H                  0.06093900   13.06999700   -0.15497500
 C                  0.69230600   13.58730600    1.82207200
 C                  1.46793300   13.24411900    2.93896500
 C                  1.60873800   14.18184400    3.98577500
 C                  0.97166200   15.41253600    3.88451700
 H                  1.08971300   16.12778800    4.69592400
 C                  0.19421200   15.76700200    2.77771300
 C                  0.07399600   14.83454200    1.75354000
 H                 -0.51178500   15.07929200    0.87038400
 O                  3.33907200    9.77933600    3.33527800
 C                  3.36010600   10.14632300    5.20058900
 C                  2.97444000    8.81954000    4.40717300
 H                  4.40584400   10.38245500    5.00948700
 H                  2.66661000   10.92596800    4.92348500
 C                 -0.50332400    7.32889700    1.79175100
 H                  0.46608400    6.83467900    1.90496900
 H                 -0.69421800    7.86735000    2.72351500
 H                 -1.26800600    6.55649900    1.68092000
 C                  2.44553900   13.82070900    5.18078600
 H                  2.00454600   12.98901500    5.73871900
 H                  3.44398800   13.49213500    4.87719700
 H                  2.54704200   14.67098800    5.85972500
 C                 -0.48852400   17.10957700    2.70907000
 H                 -1.27044200   17.19977400    3.47071000
 H                  0.21881000   17.92826100    2.87464100
 H                 -0.95747400   17.26434700    1.73410600
 C                 -2.45665500    8.64197300   -2.65646600
 H                 -2.32870900    7.66551600   -3.13541600
 H                 -3.47513300    8.67506000   -2.25713600
 H                 -2.37790500    9.40603300   -3.43381000
 C                  6.56910300    9.72320300    0.18254300
 H                  6.78945900    9.94925100    1.23025800
 H                  5.91331700    8.84678600    0.18847000
 H                  7.50210500    9.45395800   -0.31861400
 C                  6.47731000   13.20363900   -3.48084600
 H                  7.42193200   13.69700900   -3.22825500
 H                  6.69876200   12.46057400   -4.25334900
 H                  5.81779400   13.95623500   -3.92017600
 H                  3.70348800    8.00838100    4.46049400
 C                  1.56350000    8.30086600    4.48667300
 H                  1.45275300    7.45552700    3.79425300
 H                  1.41699000    7.90946700    5.50021200
 O                  0.56535500    9.26628100    4.25716800
 H                  0.63735300    9.48239600    3.31632100
 O                  3.22044400   10.10577500    6.67091500
 C                  4.11316000    9.21848900    7.26576300
 H                  5.16125200    9.42739500    6.98637500
 H                  4.03117200    9.31515100    8.35326000
 H                  3.90751700    8.16640300    7.00634800
 
 A 39 41 40 S 6 -2.8
 B 40 74 S 4 0.08





