%chk=TS-Ins-CC-DownH2O.chk
%nprocshared=12
%mem=22GB
#p opt=(modredundant,noeigentest) iop(1/8=1) freq=noraman wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 3.80572500    9.83243900    2.22456300
 N                  5.23677100    9.92710000    0.60363700
 O                  4.93237300    8.75973100    3.13568400
 O                  2.63145300    9.00237600    1.12624500
 O                  3.93418200   11.61557100    2.39538000
 C                  6.61575900    9.91649800    1.16392900
 H                  6.68654500   10.75915300    1.85898700
 H                  7.33276600   10.10166400    0.35184700
 C                  6.95778500    8.63770000    1.87229400
 C                  6.07469900    8.13680700    2.84057100
 C                  6.39678800    6.93965000    3.51257700
 C                  7.59182800    6.29284800    3.21066800
 H                  7.83063300    5.36831500    3.73514100
 C                  8.48538900    6.77981000    2.25020100
 C                  8.13927500    7.95299400    1.58395600
 H                  8.80300200    8.35264900    0.81881800
 C                  5.06659500    8.76318200   -0.30370100
 H                  5.19229000    7.85883500    0.30027200
 H                  5.87222100    8.77153400   -1.05119600
 C                  3.72837000    8.73683300   -0.98383400
 C                  2.56828700    8.84204000   -0.20708800
 C                  1.30508600    8.75387500   -0.82235200
 C                  1.24229300    8.57970500   -2.20220400
 H                  0.26340800    8.51199900   -2.67496300
 C                  2.38894700    8.49457600   -3.00018000
 C                  3.62615600    8.57785300   -2.36695900
 H                  4.53942800    8.51282500   -2.95613100
 C                  5.03529800   11.17980800   -0.17522500
 H                  3.99685500   11.17790000   -0.52338400
 H                  5.67744000   11.15130000   -1.06718300
 C                  5.31143100   12.42204100    0.62027500
 C                  4.71454600   12.56412300    1.88152800
 C                  4.94381900   13.74105900    2.62513300
 C                  5.76344900   14.72983200    2.08862400
 H                  5.93812100   15.63503800    2.66938400
 C                  6.37643800   14.59925700    0.83638400
 C                  6.13808600   13.42907900    0.12016400
 H                  6.60434200   13.28977100   -0.85408700
 O                  0.77961700    7.19087500    5.50709300
 C                  2.18783500    7.42513100    5.18395000
 C                  2.32737600    8.75809900    5.72135200
 H                  2.84603100    6.75767300    5.75825000
 H                  2.39279500    7.35731300    4.11629000
 C                  0.06543600    8.83839300    0.02387800
 H                  0.02253300    8.01469400    0.74634500
 H                  0.04637400    9.76353000    0.60805400
 H                 -0.83656700    8.79502100   -0.59484000
 C                  4.30640800   13.88673800    3.97969600
 H                  3.22044400   13.74988600    3.92411600
 H                  4.68197900   13.12961500    4.67938400
 H                  4.50839500   14.87384500    4.40734800
 C                  7.26866700   15.69000400    0.29665200
 H                  6.71940400   16.62958400    0.15952100
 H                  8.09994900   15.90223000    0.98003900
 H                  7.69623100   15.41046600   -0.67161600
 C                  2.27596100    8.32248800   -4.49461900
 H                  1.68241100    7.43719500   -4.75228800
 H                  1.78522800    9.18511000   -4.96174100
 H                  3.26151800    8.20963400   -4.95795000
 C                  5.42935600    6.37873300    4.51690200
 H                  5.18242000    7.11673500    5.28880900
 H                  4.48573600    6.09609400    4.03514000
 H                  5.83949600    5.49069100    5.00774600
 C                  9.77248300    6.05160900    1.95144000
 H                 10.47893700    6.12112100    2.78808500
 H                  9.59640000    4.98527600    1.76797300
 H                 10.26720500    6.46656700    1.06732200
 H                  2.22601600    8.89819900    6.79577200
 O                  2.55795700    9.74897800    3.59088800
 C                  2.88026700    9.82363200    4.90811100
 H                  2.52801934   10.75888237    5.29037835
 C                  0.28921400    9.63655000    4.19317900
 O                  0.16972100    9.03511700    5.22444700
 O                  0.02412800   10.21234800    3.21515600
 H                  0.68540100    6.23723900    5.27589400
 O                  0.99739300    4.87299400    4.02742000
 H                  1.74153400    4.30301900    4.26214100
 H                  1.33842800    5.41866800    3.28732700
 O                  2.18270900    6.41692400    1.99838800
 H                  2.18506000    7.38244100    1.81761700
 H                  3.09314900    6.14891700    1.81571800
 H                  3.94623770    9.79962513    4.99772208 
 
 X 73 F
 X 74 F
 X 39 F
 X 69 F
 X 40 F
 X 41 F
 X 82 F






