%chk=TS-H.chk
%nprocshared=12
%mem=22GB
#p opt=(ts,calcfc,noeigentest) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.19914700   11.08506600    1.77655700
 N                  1.69390900   12.17744900    0.06027900
 O                  4.02849700   11.40370500    1.38230100
 O                  1.32292000    9.64114100    1.26808300
 O                  1.46348900   12.21099000    2.91107900
 C                  2.78125800   13.11059000   -0.36950500
 H                  2.96536000   13.79732200    0.46205000
 H                  2.41358000   13.70449700   -1.21560400
 C                  4.05257800   12.40071900   -0.74840900
 C                  4.64587300   11.53974100    0.17306000
 C                  5.82189300   10.84274700   -0.11369000
 C                  6.40181700   11.05292300   -1.36419600
 H                  7.32011900   10.52106100   -1.60621600
 C                  5.84425100   11.91446400   -2.31450800
 C                  4.65964200   12.57567000   -1.99094000
 H                  4.19614300   13.24228200   -2.71500800
 C                  1.39909300   11.23950900   -1.06570600
 H                  2.32181800   10.68459400   -1.26458000
 H                  1.17395300   11.83286900   -1.96136600
 C                  0.27834400   10.28078000   -0.78044400
 C                  0.32074300    9.50564900    0.38555600
 C                 -0.68655700    8.55607500    0.63461300
 C                 -1.71429300    8.41352800   -0.29445900
 H                 -2.49270200    7.67658100   -0.10136500
 C                 -1.78491900    9.18660500   -1.45914300
 C                 -0.77578800   10.12081300   -1.68071500
 H                 -0.79936100   10.73735200   -2.57769300
 C                  0.46672000   12.97300000    0.37408100
 H                 -0.31474900   12.25544800    0.64499700
 H                  0.14038800   13.48486400   -0.54034400
 C                  0.67495000   13.96105400    1.48717800
 C                  1.16416000   13.50566300    2.71949800
 C                  1.34308500   14.41251400    3.78083100
 C                  1.02622900   15.75246000    3.57508700
 H                  1.16948500   16.45400100    4.39585300
 C                  0.54154200   16.23078200    2.35174600
 C                  0.37758000   15.31406000    1.31643800
 H                  0.00835900   15.65311100    0.35006400
 O                  3.27273000   10.10786700    3.04756100
 C                  3.25502300    8.72237600    3.29884000
 C                  4.20533800    8.41772500    4.44124500
 H                  2.24484100    8.41302200    3.58614200
 H                  3.54611700    8.14756600    2.41063400
 C                 -0.62669300    7.73017400    1.89041100
 H                  0.31999800    7.18248000    1.96137300
 H                 -0.69240600    8.36211700    2.78447900
 H                 -1.44592300    7.00537800    1.92327300
 C                  1.87895500   13.91142300    5.09427000
 H                  1.22028400   13.15006200    5.52829000
 H                  2.86073400   13.43981700    4.96814300
 H                  1.97902300   14.72818400    5.81580400
 C                  0.23054000   17.69513700    2.16569900
 H                 -0.48211700   18.05307700    2.91805900
 H                  1.13400400   18.30974200    2.25987800
 H                 -0.20170000   17.88627900    1.17831600
 C                 -2.93359800    9.02434800   -2.42344700
 H                 -3.12182500    7.96817700   -2.64733300
 H                 -3.86236700    9.43618700   -2.00890700
 H                 -2.73670000    9.53986600   -3.36889400
 C                  6.40649300    9.89401300    0.89650300
 H                  6.63876500   10.39366300    1.84388000
 H                  5.70959500    9.07781300    1.12519900
 H                  7.32846700    9.44424000    0.51757400
 C                  6.49834200   12.09515000   -3.66158000
 H                  7.56381000   12.32898900   -3.55828200
 H                  6.42525600   11.18062100   -4.26249800
 H                  6.02665200   12.90484600   -4.22669500
 H                  4.23001700    7.34682300    4.64787700
 C                  3.95099700    9.25804400    5.69923700
 H                  2.97195100    9.73736500    5.70104200
 H                  4.09588300    8.69236600    6.62204900
 O                  4.95437600   10.28051600    5.63065300
 C                  5.84727900    9.97704100    4.68291600
 O                  5.53287500    8.82820200    4.06264900
 O                  6.81908500   10.63718300    4.42994700
 H                  4.13006900   10.56159000    2.24918200






