%chk=TS-Ins-CC-DownH2O.chk
%nprocshared=8
%mem=22GB
#p opt=(noeigentest) iop(1/8=1) freq=noraman wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 3.78453700    9.85037800    2.21701600
 N                  5.21833700    9.95041900    0.58634300
 O                  4.96230100    8.86595900    3.16075400
 O                  2.64871200    8.94057500    1.14099500
 O                  3.83986800   11.64183800    2.32272600
 C                  6.59841900   10.00256700    1.14120700
 H                  6.64480200   10.87016900    1.80691600
 H                  7.30699400   10.18240800    0.32035800
 C                  6.98494500    8.76183300    1.89352100
 C                  6.12296800    8.27018500    2.88488400
 C                  6.48633500    7.11211000    3.60265900
 C                  7.70182500    6.49477700    3.32168400
 H                  7.97442500    5.60085300    3.88167200
 C                  8.57588100    6.97357100    2.33918200
 C                  8.18852900    8.10703200    1.62811700
 H                  8.83700600    8.49897200    0.84616200
 C                  5.08674700    8.75602000   -0.28709800
 H                  5.24092900    7.87437200    0.34355300
 H                  5.89192900    8.76815100   -1.03510100
 C                  3.75017300    8.66803100   -0.96526400
 C                  2.58822000    8.75262800   -0.18901000
 C                  1.32746200    8.61199400   -0.79907500
 C                  1.26820000    8.40658800   -2.17479300
 H                  0.29131200    8.29911100   -2.64436700
 C                  2.41599500    8.34053400   -2.97289600
 C                  3.65106600    8.47717500   -2.34454300
 H                  4.56494600    8.42885400   -2.93443800
 C                  4.97240000   11.17386600   -0.22574100
 H                  3.93451700   11.12631200   -0.57157400
 H                  5.61471300   11.14485700   -1.11766800
 C                  5.20524500   12.44482500    0.53736800
 C                  4.59823100   12.59897600    1.79229800
 C                  4.79476700   13.79638000    2.51218300
 C                  5.59101700   14.79433900    1.95784200
 H                  5.74072300   15.71554600    2.52011400
 C                  6.21177200   14.65345400    0.71047700
 C                  6.00737600   13.46224000    0.01881600
 H                  6.48216400   13.31399000   -0.94995000
 O                  0.77961700    7.19087500    5.50709300
 C                  2.18783500    7.42513100    5.18395000
 C                  2.32737600    8.75809900    5.72135200
 H                  2.85054400    6.76771400    5.76806100
 H                  2.39697100    7.35080600    4.11797600
 C                  0.08699900    8.67943400    0.04773500
 H                  0.07220800    7.87652600    0.79425700
 H                  0.03819400    9.62038300    0.60470900
 H                 -0.81408000    8.58845700   -0.56684900
 C                  4.15013000   13.95152900    3.86220300
 H                  3.06527200   13.80665200    3.80340600
 H                  4.52708300   13.20280800    4.57013300
 H                  4.34321100   14.94411400    4.28120200
 C                  7.08055800   15.75406600    0.15278500
 H                  6.51602700   16.68488300    0.01837600
 H                  7.91804400   15.98179600    0.82368500
 H                  7.49940100   15.47548400   -0.81957700
 C                  2.30616200    8.13838500   -4.46375800
 H                  1.72584300    7.23997300   -4.70517800
 H                  1.80327000    8.98530500   -4.94660800
 H                  3.29347100    8.03177400   -4.92479300
 C                  5.53891500    6.55776600    4.63020600
 H                  5.23670500    7.32478800    5.35205400
 H                  4.62120300    6.18774200    4.15688900
 H                  5.99379200    5.72693300    5.17863500
 C                  9.88721500    6.27926800    2.06611500
 H                 10.58211500    6.38480000    2.90853100
 H                  9.74515900    5.20506500    1.89952000
 H                 10.37821200    6.69359200    1.17962000
 H                  2.18508600    8.89648800    6.79120400
 O                  2.55795700    9.74897800    3.59088800
 C                  2.85274000    9.86763000    4.90663100
 H                  2.57523900   10.83405700    5.36283300
 C                  0.28921400    9.63655000    4.19317900
 O                  0.16972100    9.03511700    5.22444700
 O                  0.02412800   10.21234800    3.21515600
 H                  0.68477500    6.23588900    5.27896400
 O                  0.99497900    4.86265100    4.05121200
 H                  1.71312900    4.26807900    4.30511100
 H                  1.36890800    5.38841600    3.31242700
 O                  2.26860600    6.36058400    2.04176200
 H                  2.25297400    7.32194700    1.83822700
 H                  3.19681000    6.11697100    1.92624000
 H                  3.94623800    9.79962500    4.99772200 
 
 






