%chk=TS-Down-H2O.chk
%nprocshared=24
%mem=80GB
#p opt=(readfc,ts,noeigentest) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.21768800   12.32900000    2.63061800
 N                  0.59995000   13.59952200    0.93491500
 O                  2.90230300   12.38702400    2.04797400
 O                  0.10258200   11.05569500    2.00004800
 O                  0.64071700   13.56605700    3.76648800
 C                  1.74960100   14.40181200    0.44665300
 H                  2.06422800   15.04621000    1.27217700
 H                  1.40728600   15.05561100   -0.36603800
 C                  2.92467000   13.58566700   -0.00855500
 C                  3.48320300   12.65578300    0.88023500
 C                  4.70029000   12.03219000    0.54926400
 C                  5.26907200   12.28702200   -0.69541500
 H                  6.20396200   11.79136400   -0.94829400
 C                  4.69190700   13.15806000   -1.62036800
 C                  3.52107200   13.81239900   -1.24578400
 H                  3.06363200   14.52747000   -1.92497300
 C                  0.09602100   12.76587500   -0.18938200
 H                  0.90473600   12.08905800   -0.47838600
 H                 -0.11963600   13.41506100   -1.04735600
 C                 -1.12476100   11.98115500    0.18734900
 C                 -1.05612400   11.17116300    1.32098500
 C                 -2.17934400   10.44480900    1.74284300
 C                 -3.34448100   10.53224600    0.98588900
 H                 -4.21696500    9.96722700    1.30570300
 C                 -3.43483400   11.32817600   -0.15822300
 C                 -2.31208100   12.06030800   -0.53431000
 H                 -2.35638400   12.70811700   -1.40595500
 C                 -0.47882900   14.52966100    1.36955700
 H                 -1.32138900   13.91727300    1.70008500
 H                 -0.81553800   15.11399400    0.50347100
 C                 -0.05827400   15.44479100    2.48154400
 C                  0.47995400   14.88352100    3.64509200
 C                  0.84916100   15.72314700    4.71317600
 C                  0.66582600   17.09475800    4.58305800
 H                  0.95510200   17.73898700    5.41050900
 C                  0.13234400   17.67394500    3.42786400
 C                 -0.21911200   16.82598900    2.38354800
 H                 -0.63089500   17.24209500    1.46750100
 C                 -2.11833600    9.63740800    3.01119000
 H                 -2.89197600    8.86654800    3.02351000
 H                 -1.14188500    9.17033700    3.15441200
 H                 -2.27490200   10.28394200    3.88190600
 C                  1.43652600   15.11383300    5.95433400
 H                  2.33605500   14.53669000    5.71942400
 H                  1.69927900   15.88383900    6.68321700
 H                  0.73488400   14.41808400    6.42473000
 C                 -0.04465800   19.16788400    3.32660500
 H                 -0.71467400   19.54372800    4.10649000
 H                  0.91013200   19.69131400    3.44042300
 H                 -0.46767300   19.45039000    2.35964500
 C                 -4.71321400   11.38551600   -0.95439400
 H                 -4.90807700   10.43266900   -1.45745400
 H                 -5.57305700   11.59456300   -0.31118200
 H                 -4.66767000   12.16290300   -1.72051000
 C                  5.40296300   11.16822300    1.56081000
 H                  6.18670400   11.74045800    2.07062200
 H                  4.71025200   10.82705900    2.33026400
 H                  5.88578800   10.30803100    1.08940800
 C                  5.31452500   13.37369900   -2.97609700
 H                  5.09455100   12.53997400   -3.65188300
 H                  4.93565500   14.28502100   -3.44532800
 H                  6.40282600   13.45666700   -2.90630200
 O                  1.45343000    8.97888200    4.26255800
 H                  1.91116900    7.66182800    1.47836500
 C                  2.09886700   10.01124400    4.20053400
 O                  3.47673700    9.92015600    4.40156400
 O                  1.72235300   11.20296900    4.05951400
 C                  3.90248000    8.59666600    4.43485300
 C                  3.66822700    7.85514300    3.21528600
 H                  3.68027900    8.06701100    5.36352100
 O                  2.75642600    7.19498800    1.63622200
 C                  3.41492000    8.42737400    1.87603000
 H                  4.10321300    6.86258300    3.20352900
 H                  4.30381800    8.58230800    1.26217900
 H                  2.77049200    9.30330700    1.84591900
 H                  5.01212200    8.59103200    4.31657100
 O                  0.60213200    8.54391500    1.09808300
 H                 -0.23218500    8.08528300    1.22498500
 H                  0.48663100    9.41528700    1.53201000
 
 





