%chk=TS-FC-H-2Al.chk
%nprocshared=8
%mem=30GB
#p opt(calcfc,ts,noeigentest,notrustupdate) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.87463700   10.52951900   -1.63193100
 N                  1.97384800   12.49260700   -0.94076400
 O                  3.78328100   10.51596400   -1.64265700
 O                  0.83051600    9.99652200   -0.30912100
 O                  1.22038400   10.96570600   -3.20514200
 C                  3.26079300   13.16648000   -1.29324700
 H                  3.35214400   13.14276400   -2.38169900
 H                  3.19537800   14.21551300   -0.98601500
 C                  4.47181300   12.52618500   -0.66921100
 C                  4.71257700   11.17175400   -0.88502500
 C                  5.81986900   10.51663100   -0.35992000
 C                  6.70733400   11.27873700    0.40063700
 H                  7.57894200   10.78747700    0.82389600
 C                  6.50838500   12.63703200    0.64144000
 C                  5.37512000   13.24618600    0.10163800
 H                  5.19025600   14.30100500    0.28348700
 C                  1.81957400   12.51428000    0.54393500
 H                  2.65224600   11.94051700    0.96123300
 H                  1.92962800   13.54885000    0.88775300
 C                  0.52000100   11.94325800    1.03213800
 C                  0.11855900   10.67406400    0.60192400
 C                 -1.04616500   10.09542900    1.13559300
 C                 -1.79082200   10.82122000    2.05835800
 H                 -2.69407100   10.37142100    2.46402300
 C                 -1.42634400   12.10421000    2.47479000
 C                 -0.26046300   12.64675300    1.94783300
 H                  0.05966000   13.63887200    2.25514100
 C                  0.84366100   13.25257800   -1.55981400
 H                 -0.08098600   12.75476300   -1.25662900
 H                  0.82737500   14.25951800   -1.12809600
 C                  0.91924700   13.32880000   -3.05744800
 C                  1.10342500   12.15988300   -3.80105500
 C                  1.18368700   12.22855700   -5.20088900
 C                  1.00317100   13.45685700   -5.82251200
 H                  1.04075400   13.50029200   -6.90875700
 C                  0.76559200   14.63060000   -5.10213700
 C                  0.75117400   14.54629100   -3.71531300
 H                  0.59240700   15.44438500   -3.12389500
 O                  2.47283000    8.78628900   -2.07270500
 C                  2.12948700    7.95992400   -3.15242400
 C                  0.85465800    7.20360800   -2.79922000
 H                  2.92605100    7.23092800   -3.33002200
 H                  1.97686600    8.54290800   -4.06965100
 C                 -1.47799200    8.73025800    0.68258500
 H                 -0.63831800    8.03123000    0.66487600
 H                 -1.88761300    8.76928800   -0.33124800
 H                 -2.25237900    8.32951900    1.34050600
 C                  1.44862800   10.97227600   -5.97432800
 H                  0.73911100   10.19058600   -5.69667400
 H                  2.44846100   10.58005900   -5.75916800
 H                  1.37676200   11.14586500   -7.04988400
 C                  0.49529000   15.93003700   -5.81388200
 H                 -0.49081500   15.91395800   -6.29118700
 H                  1.23261000   16.12019900   -6.59947900
 H                  0.51437700   16.77351100   -5.11979700
 C                 -2.27299100   12.86502500    3.46262200
 H                 -1.84219600   13.84588500    3.67659400
 H                 -2.36400000   12.32470000    4.41010300
 H                 -3.28648700   13.02009300    3.07969100
 C                  6.02445400    9.04882500   -0.60827700
 H                  6.11333200    8.83547400   -1.67850200
 H                  5.18489500    8.46010200   -0.22509400
 H                  6.93321400    8.69656600   -0.11826400
 C                  7.49494000   13.43732500    1.45055400
 H                  8.14589400   14.03000600    0.79921700
 H                  8.13150800   12.78863800    2.05627900
 H                  6.98315500   14.13397200    2.11961100
 H                  0.94988200    6.78378600   -1.79907800
 C                 -0.43582800    8.00486000   -2.95941500
 H                 -0.28491100    9.07244600   -3.08836700
 H                 -1.16594300    7.80025700   -2.17995000
 O                 -0.97588600    7.49035400   -4.20668600
 C                 -0.37597400    6.30124700   -4.51036700
 O                 -0.75711800    5.54895000   -5.34477400
 O                  0.66803600    6.10302100   -3.71334600
 Al                -1.94577800    8.72907900   -5.72816700
 N                 -2.68273700    9.98720400   -7.16648200
 O                 -1.80547100    9.98409000   -4.50105000
 O                 -3.38102000    7.71835800   -5.59881500
 O                 -0.56077200    8.21119600   -6.68771400
 C                 -2.07645300   11.34000100   -7.00778600
 C                 -4.16398900   10.07230700   -7.01001000
 C                 -2.35714200    9.46789100   -8.52486900
 C                 -2.17564200   11.26994500   -4.49308100
 C                 -4.42363000    7.63754400   -6.43456100
 C                 -0.08263100    8.62290400   -7.86495100
 H                 -0.99850500   11.22136700   -7.14889000
 H                 -2.44243000   11.98047700   -7.81814300
 C                 -2.34616000   11.98990800   -5.67983800
 H                 -4.35594300   10.47587100   -6.01179300
 H                 -4.55048900   10.79460200   -7.73775600
 C                 -4.85469400    8.74615800   -7.17500200
 H                 -2.85288200    8.49806000   -8.62411400
 H                 -2.80126200   10.13947100   -9.26862300
 C                 -0.88471100    9.30639700   -8.78501100
 C                 -2.39600500   11.90174200   -3.25776500
 C                 -5.09514400    6.40843200   -6.56456100
 C                  1.26472700    8.36063100   -8.16877800
 C                 -2.68232500   13.34203600   -5.62471300
 C                 -5.93792400    8.61860600   -8.04410800
 C                 -0.32366000    9.77312500   -9.97373900
 C                 -2.71969400   13.25230200   -3.24271900
 C                 -2.24116600   11.11342500   -1.99070600
 C                 -6.17753700    6.32488400   -7.43202000
 C                 -4.62174500    5.22805600   -5.76453700
 C                  1.78347700    8.82872200   -9.36904700
 C                  2.09868100    7.59577400   -7.18122700
 C                 -2.85242000   14.00152600   -4.41401300
 H                 -2.79692000   13.88995800   -6.55657900
 C                 -6.61877400    7.41563900   -8.18674800
 H                 -6.25016800    9.48536500   -8.62087200
 C                  1.01183600    9.54888900  -10.28624700
 H                 -0.95480200   10.31774800  -10.67116200
 H                 -2.86295200   13.74113600   -2.28179100
 H                 -1.21237100   10.76589500   -1.87038700
 H                 -2.87619200   10.22240000   -1.99879000
 H                 -2.50154200   11.71670700   -1.11820100
 H                 -6.69030800    5.37116800   -7.53382900
 H                 -4.78077000    5.38962900   -4.69327000
 H                 -3.54850900    5.06980900   -5.89944200
 H                 -5.15406100    4.31933900   -6.05445600
 H                  2.82855800    8.63173700   -9.59637200
 H                  1.65331500    6.62124000   -6.96122600
 H                  2.16759300    8.13021100   -6.22952300
 H                  3.11021600    7.43903200   -7.56238100
 C                 -3.11758600   15.48262900   -4.35585400
 C                 -7.79128400    7.28030300   -9.12420700
 C                  1.61880600   10.06455900  -11.56607100
 H                 -2.20471000   16.02890400   -4.09148000
 H                 -3.87151800   15.72678500   -3.60212800
 H                 -3.46387100   15.86501700   -5.31921300
 H                 -7.97877800    8.21494600   -9.65801300
 H                 -8.70551200    7.01493100   -8.58354900
 H                 -7.61796000    6.49723600   -9.86904800
 H                  2.12161600    9.26463500  -12.11802300
 H                  2.36628300   10.83965700  -11.36770200
 H                  0.85725400   10.49574800  -12.22021200
 H                  3.60811900    9.43621700   -1.88654300
 





