%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                 1.99476100   10.70434000    2.08763800
 N                  1.30109900   11.81419400    0.38427600
 O                  3.72002300   10.93459500    1.52581600
 O                  1.07423000    9.28189200    1.50684800
 O                  1.43857600   12.03392800    3.14202400
 C                  2.29871400   12.85489600    0.02275800
 H                  2.46709600   13.47145300    0.90871400
 H                  1.87541500   13.50307500   -0.75420500
 C                  3.60031900   12.27368200   -0.44616300
 C                  4.24971500   11.32444900    0.34676200
 C                  5.46830900   10.77159100   -0.07959600
 C                  6.00756400   11.19947600   -1.28859900
 H                  6.94980000   10.76832400   -1.61827400
 C                  5.37759600   12.14854300   -2.09590900
 C                  4.16500000   12.66802800   -1.65688500
 H                  3.63764600   13.39635100   -2.26731700
 C                  1.09291600   10.91774800   -0.78513100
 H                  2.04960000   10.43238800   -0.99514500
 H                  0.83470000   11.52931100   -1.65886300
 C                  0.04362700    9.87150300   -0.55554800
 C                  0.11900200    9.08781300    0.60157200
 C                 -0.83376800    8.07237100    0.81255000
 C                 -1.82620800    7.87422300   -0.14061400
 H                 -2.56152800    7.09042800    0.02791400
 C                 -1.91946800    8.65120100   -1.29937800
 C                 -0.97198900    9.65200700   -1.48402700
 H                 -1.01769600   10.28035000   -2.37015000
 C                  0.00791400   12.46737000    0.73038800
 H                 -0.67626300   11.67737900    1.05411500
 H                 -0.41638000   12.91415000   -0.17729800
 C                  0.13347200   13.51069400    1.80281400
 C                  0.84805800   13.20837300    2.96881800
 C                  0.95969900   14.18304500    3.98114400
 C                  0.34440600   15.41567600    3.80229100
 H                  0.43380900   16.16150700    4.58914400
 C                 -0.37592100   15.73273800    2.64623300
 C                 -0.46314400   14.76203300    1.65503600
 H                 -1.00350800   14.97797400    0.73653700
 O                  0.77957162    7.19100408    5.50696221
 C                  2.18787728    7.42503701    5.18407833
 C                  2.32739372    8.75812590    5.72129983
 H                  2.59638778    6.58421888    5.73049951
 H                  2.14158269    7.31611023    4.10503493
 C                 -0.75483600    7.24725200    2.06570400
 H                  0.21733000    6.75203400    2.15306700
 H                 -0.86180900    7.87700300    2.95344400
 H                 -1.53543000    6.48320200    2.08224500
 C                  1.74701000   13.85715500    5.21861000
 H                  1.35255400   12.96389800    5.71173800
 H                  2.79324700   13.64364100    4.97442400
 H                  1.72403900   14.68542800    5.93070800
 C                 -1.02496500   17.08432000    2.48772200
 H                 -1.77715800   17.26048400    3.26356000
 H                 -0.28916500   17.89145700    2.56194100
 H                 -1.52066600   17.17350000    1.51799400
 C                 -3.00859800    8.39979300   -2.31092400
 H                 -2.87044000    7.43753900   -2.81539200
 H                 -3.99494400    8.37665100   -1.83788500
 H                 -3.02152300    9.17726600   -3.07846000
 C                  6.15714300    9.73135600    0.75912100
 H                  6.44172500   10.13036000    1.73745200
 H                  5.50317700    8.87222600    0.93622500
 H                  7.06344500    9.37412600    0.26616800
 C                  5.99901900   12.58551000   -3.39692600
 H                  6.93100500   13.13416900   -3.22615300
 H                  6.24199100   11.72611400   -4.02917900
 H                  5.32649000   13.23734000   -3.95917600
 H                  2.61444161    8.85019638    6.76044187
 O                  2.55792400    9.74899100    3.59088800
 C                  3.34554461    9.04551083    4.61600410
 H                  4.13128635    9.67260810    4.98241771
 H                  3.74274270    8.13253373    4.22407747
 C                  0.28919816    9.63654238    4.19316567
 O                  0.16975499    9.03504955    5.22451494
 O                 -0.37994229   10.19894933    3.37116134
 H                  0.47167731    6.40699990    5.04637721
 O                 -0.15373301    4.81449141    4.11081394
 H                  0.11998840    4.14230435    4.73917780
 H                  0.62255255    5.22707656    3.72512725
 O                  2.20746890    6.06943792    2.93768360
 H                  2.42411001    6.75264547    2.29901774
 H                  3.01700428    5.69249273    3.29005385 
 
 B 73 69 F
 B 74 41 F
 A 39 40 41 F
 






