%chk=Isom-IC.chk
%nprocshared=12
%mem=22GB
#p opt=(modredundant,noeigentest) freq=noraman iop(1/8=10) wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 2.52238800   10.85728400    1.71083600
 N                  1.76751000   11.97614500    0.14039900
 O                  4.18944800   10.96134500    1.10744500
 O                  1.49517600    9.44649800    1.28697600
 O                  1.91350000   11.97778900    2.94677200
 C                  2.75410400   13.02470900   -0.24059300
 H                  2.93304500   13.63789100    0.64687000
 H                  2.30252300   13.67299400   -1.00041600
 C                  4.05509800   12.46701400   -0.74297900
 C                  4.71502200   11.47267100   -0.00985600
 C                  5.95810400   10.99096600   -0.46143100
 C                  6.49820000   11.51289000   -1.63100500
 H                  7.45724400   11.13268500   -1.97558600
 C                  5.85021800   12.49804200   -2.38092200
 C                  4.62395200   12.95828900   -1.91684100
 H                  4.08895700   13.72082200   -2.47712700
 C                  1.51170000   11.09030600   -1.02981700
 H                  2.45996000   10.60672700   -1.28083300
 H                  1.22516000   11.71379400   -1.88475300
 C                  0.45991300   10.04853500   -0.77491300
 C                  0.52868700    9.26333600    0.38168600
 C                 -0.43580300    8.26421800    0.60387300
 C                 -1.43785900    8.07771600   -0.34159700
 H                 -2.18242900    7.30475900   -0.16575600
 C                 -1.52742000    8.85369400   -1.50040000
 C                 -0.56712800    9.84012700   -1.69366300
 H                 -0.61183900   10.46776700   -2.57996200
 C                  0.49358100   12.62167100    0.56436800
 H                 -0.19008700   11.82209600    0.86211900
 H                  0.05061800   13.12689400   -0.30185300
 C                  0.67142900   13.59190100    1.69616800
 C                  1.37480600   13.19732400    2.84206700
 C                  1.52031000   14.10750600    3.90666500
 C                  0.95599400   15.37275500    3.79314300
 H                  1.07777700   16.07082800    4.61827300
 C                  0.25148500   15.78284500    2.65816200
 C                  0.12646700   14.87257400    1.61622600
 H                 -0.40421700   15.15859300    0.71174300
 O                  4.84967200   11.36413300    4.70256200
 C                  3.93938700   10.70293800    5.58464200
 C                  4.87822400    9.94572500    4.76342500
 H                  4.14222000   10.83714800    6.64417600
 H                  2.90079800   10.75890800    5.27593500
 C                 -0.35900100    7.43507500    1.85460200
 H                  0.60076100    6.91355600    1.92610200
 H                 -0.44542000    8.06006300    2.74918700
 H                 -1.15611700    6.68897000    1.87861200
 C                  2.28470200   13.69401400    5.13112200
 H                  1.77577000   12.88043600    5.65790300
 H                  3.27572800   13.31962200    4.86357100
 H                  2.39501000   14.53138000    5.82409800
 C                 -0.33348100   17.16914900    2.57084000
 H                 -1.05792700   17.34858200    3.37159000
 H                  0.44333200   17.93546700    2.65925200
 H                 -0.84505100   17.32133000    1.61748000
 C                 -2.62801600    8.61853400   -2.50301800
 H                 -2.50895600    7.65284200   -3.00533000
 H                 -3.61040000    8.61356500   -2.02160500
 H                 -2.63341000    9.39436900   -3.27212100
 C                  6.66668100    9.92736200    0.32843800
 H                  6.90674300   10.27938000    1.33670200
 H                  6.04041400    9.03739200    0.44414100
 H                  7.59717100    9.63233200   -0.16162300
 C                  6.46310400   13.03229000   -3.65000200
 H                  7.42751000   13.51291400   -3.45679200
 H                  6.64126200   12.23174100   -4.37494300
 H                  5.81068000   13.77110600   -4.12137500
 H                  5.77231800    9.53251500    5.22806300
 C                  4.45936400    9.19662800    3.53221500
 H                  5.14535600    9.40369000    2.71054300
 H                  4.46380900    8.12613300    3.74595400
 O                  3.13570800    9.57057900    3.11125900
 H                  2.58668400    8.79124000    2.96763200
   
 B 72 41 S 6 -0.168
 
     


