%chk=After-TS3F.chk
%nprocshared=8
%mem=22GB
#p opt=(modredundant,noeigentest) freq=noraman wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 2.60927100   10.83638100    1.84753800
 N                  1.89492000   11.89273600    0.21701500
 O                  3.96808700   10.26378700    0.78612100
 O                  1.41660000    9.31097500    1.44482500
 O                  1.36624000   11.58582100    2.94610300
 C                  2.96757200   12.83665900   -0.20799900
 H                  3.15278200   13.50903800    0.63277400
 H                  2.57367200   13.44864100   -1.02621200
 C                  4.24591900   12.17329900   -0.64797800
 C                  4.68184400   10.95222800   -0.11021900
 C                  5.89991200   10.40575500   -0.57164600
 C                  6.65033000   11.09969100   -1.51169100
 H                  7.59169000   10.66664500   -1.84986200
 C                  6.24022100   12.32760200   -2.04172900
 C                  5.02625400   12.83496900   -1.59952500
 H                  4.65884000   13.77862800   -2.00576400
 C                  1.59165200   10.96533200   -0.90294100
 H                  2.49590900   10.40271500   -1.12968900
 H                  1.34424600   11.56103700   -1.78491100
 C                  0.45906300   10.00240400   -0.63678000
 C                  0.40738500    9.19252000    0.49469300
 C                 -0.60948700    8.25556500    0.68438300
 C                 -1.59059900    8.16372800   -0.29772900
 H                 -2.38348600    7.43386800   -0.16175700
 C                 -1.59534600    8.96554900   -1.43371000
 C                 -0.55402200    9.87978400   -1.58139800
 H                 -0.52612800   10.52121700   -2.45716100
 C                  0.66722100   12.68654300    0.51266700
 H                 -0.14847000   11.96742600    0.64841200
 H                  0.43029400   13.29810000   -0.36429400
 C                  0.75278300   13.53116100    1.74608700
 C                  1.02026600   12.87730200    2.96022700
 C                  0.88159100   13.58642000    4.16292600
 C                  0.56743100   14.94539200    4.10347800
 H                  0.46744700   15.48958900    5.04023900
 C                  0.37140900   15.62529700    2.90410500
 C                  0.44995500   14.88550500    1.72426600
 H                  0.25836000   15.36792900    0.76871700
 O                  4.01950600   12.12670600    2.57343500
 C                  4.12776900   12.43581700    3.99084100
 C                  4.97754300   11.41539700    3.40168100
 H                  4.51473500   13.43212600    4.17937800
 H                  3.27290200   12.11348500    4.56986200
 C                 -0.63798000    7.35896100    1.89062300
 H                  0.30906000    6.82721100    2.01582100
 H                 -0.81305800    7.92444600    2.81121400
 H                 -1.43532900    6.62138800    1.79364300
 C                  1.03763600   12.90313900    5.49583000
 H                  1.10381300   11.81996100    5.38025800
 H                  1.94030100   13.24234200    6.01998000
 H                  0.18761500   13.12346300    6.14884000
 C                  0.08509700   17.10473800    2.87520500
 H                 -0.29788500   17.45479300    3.83707500
 H                  0.99122600   17.67938100    2.65328500
 H                 -0.65223400   17.35335800    2.10680800
 C                 -2.69363100    8.85875400   -2.45238400
 H                 -2.91149400    7.81388800   -2.68870000
 H                 -3.61722200    9.30741500   -2.07268200
 H                 -2.42931400    9.37213200   -3.37926900
 C                  6.36803100    9.09121300   -0.02094900
 H                  6.61340400    9.17057900    1.04302100
 H                  5.58600000    8.32632500   -0.10378000
 H                  7.25718500    8.73758000   -0.54807900
 C                  7.07886800   13.05506700   -3.06642700
 H                  8.08882300   13.22918400   -2.69539800
 H                  7.16371800   12.47684500   -3.99015800
 H                  6.63812000   14.02570100   -3.31509000
 H                  6.00969000   11.64473400    3.16082100
 C                  4.63829700    9.95042500    3.59214900
 H                  5.21103100    9.33388000    2.89831500
 H                  4.85496800    9.65589000    4.62014000
 O                  3.25622700    9.74228200    3.33032500
 C                  2.38222100    9.25578400    4.43125800
 O                  2.80562600    9.42574200    5.56570400
 O                  1.35915500    8.72908800    3.97260600
 H                  4.20645500    9.33883937    0.88231132
 
 B 73 72 F
 

   
     


