%chk=Guess-Isom.chk
%nprocshared=12
%mem=22GB
#p freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 2.80325700   10.71060500    1.73567600
 N                  1.90933300   11.93029100    0.25966700
 O                  4.39766700   10.93807400    0.97447900
 O                  1.66387100    9.39325500    1.35656800
 O                  2.12955000   12.05021800    3.01000800
 C                  2.84796800   13.01549100   -0.15643500
 H                  3.09974900   13.59085700    0.73873200
 H                  2.32185900   13.68857000   -0.84287200
 C                  4.10471500   12.50070100   -0.79864400
 C                  4.82338200   11.47970700   -0.16683900
 C                  6.01324600   11.00430500   -0.74848400
 C                  6.45034900   11.57163200   -1.93912200
 H                  7.36894200   11.19881700   -2.38645800
 C                  5.74714200   12.59254400   -2.58582600
 C                  4.56883900   13.03854500   -1.99833400
 H                  3.99040600   13.82238300   -2.48099500
 C                  1.62188000   11.06697700   -0.92552400
 H                  2.56204200   10.59071500   -1.21601200
 H                  1.31318000   11.71234600   -1.75597000
 C                  0.57767800   10.02083800   -0.66894500
 C                  0.68136200    9.21937800    0.47354300
 C                 -0.27735300    8.21375100    0.70239100
 C                 -1.30028200    8.03876700   -0.22227400
 H                 -2.03784700    7.26012300   -0.04111000
 C                 -1.42057200    8.83107300   -1.36772700
 C                 -0.46907000    9.82436300   -1.56791300
 H                 -0.53617800   10.46608300   -2.44277100
 C                  0.62734300   12.53214700    0.72361200
 H                 -0.00261300   11.72191600    1.09803200
 H                  0.11637600   12.97544900   -0.13784000
 C                  0.80550800   13.57762800    1.78610000
 C                  1.55776900   13.30566900    2.92157200
 C                  1.78700300   14.27344100    3.90116900
 C                  1.17532900   15.51310000    3.72940700
 H                  1.34045100   16.27474200    4.48636600
 C                  0.38775300   15.81689600    2.61997300
 C                  0.22937700   14.83682800    1.64620400
 H                 -0.34923700   15.04978500    0.75235900
 O                  2.81512900   10.97777900    5.19866900
 C                  2.54784000    9.57272500    5.37672800
 C                  3.88798700    9.94547200    4.90818500
 H                  2.40856700    9.29115600    6.41714200
 H                  1.83572000    9.15981000    4.67265900
 C                 -0.17269100    7.36626600    1.93846700
 H                  0.80203500    6.87345600    1.99961500
 H                 -0.27184800    7.97372300    2.84377700
 H                 -0.95047100    6.59953400    1.95340200
 C                  2.68444000   14.01738800    5.07962200
 H                  2.26268400   13.28047900    5.76666600
 H                  3.65759000   13.63399700    4.75868500
 H                  2.84910700   14.94411300    5.63114200
 C                 -0.25607200   17.17090100    2.48330300
 H                 -1.03446200   17.31141600    3.23984700
 H                  0.47666400   17.97152300    2.61760100
 H                 -0.71778900   17.29296200    1.50125400
 C                 -2.54364700    8.60423100   -2.34720300
 H                 -2.44187300    7.63805600   -2.85234600
 H                 -3.51602900    8.60587900   -1.84555200
 H                 -2.55991000    9.38057400   -3.11568000
 C                  6.76921500    9.89799200   -0.06919200
 H                  7.16164200   10.22320900    0.89962000
 H                  6.11779700    9.04181600    0.12893000
 H                  7.60931100    9.56360500   -0.68212400
 C                  6.25602000   13.17851400   -3.87804700
 H                  7.22326200   13.67206900   -3.73839100
 H                  6.39445800   12.40499900   -4.63993100
 H                  5.55870200   13.91935600   -4.27651100
 H                  4.48902900   10.08697400    5.84330700
 C                  4.65191900    9.66955900    3.73461500
 H                  5.45841000   10.37602100    3.50921100
 H                  4.98286100    8.63384000    3.58499000
 O                  3.42400000    9.98546100    3.25723000
 H                  2.35462200   11.69094800    3.94717400
   
 
 
     


