%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                 2.54476200   10.89633400    1.79421700
 N                  1.80582900   11.98884900    0.18815200
 O                  4.16628600   10.84284900    1.07940700
 O                  1.52496100    9.46496100    1.39286000
 O                  1.75711400   11.94149400    2.99361700
 C                  2.80974000   13.02041400   -0.19282100
 H                  2.98699200   13.63677000    0.69409000
 H                  2.37249600   13.67201900   -0.95850100
 C                  4.10852100   12.44943700   -0.68809800
 C                  4.72583900   11.40019400    0.00526100
 C                  5.96224100   10.90437100   -0.45100300
 C                  6.54386900   11.47458500   -1.57695300
 H                  7.49883300   11.08513700   -1.92249700
 C                  5.94217200   12.51976800   -2.28280300
 C                  4.71798100   12.98719100   -1.82082700
 H                  4.21654200   13.79328800   -2.35036100
 C                  1.56637900   11.06866200   -0.95918200
 H                  2.51582200   10.57552900   -1.18223600
 H                  1.29296100   11.66606900   -1.83683600
 C                  0.50731700   10.03674100   -0.68741400
 C                  0.56297400    9.27319800    0.48507100
 C                 -0.41015700    8.28561600    0.72080100
 C                 -1.40901300    8.08822300   -0.22558800
 H                 -2.16001500    7.32415400   -0.03863800
 C                 -1.48705300    8.84292500   -1.39901600
 C                 -0.51799600    9.81814900   -1.60602500
 H                 -0.55409700   10.42859300   -2.50466500
 C                  0.52899900   12.66057500    0.55303300
 H                 -0.18294400   11.87565000    0.82008500
 H                  0.13684300   13.17464600   -0.33243400
 C                  0.66934800   13.62084600    1.69673800
 C                  1.26814800   13.18046000    2.88431200
 C                  1.33982400   14.05712900    3.98357800
 C                  0.81930000   15.34015800    3.85564900
 H                  0.87945200   16.01152100    4.70932400
 C                  0.23480700   15.80100800    2.67319500
 C                  0.17429700   14.91976200    1.60026900
 H                 -0.27415300   15.24100500    0.66367600
 O                  4.44976900   11.42269300    3.78848900
 C                  4.07186100   10.89168800    5.06351200
 C                  4.81419500   10.08532600    4.09280000
 H                  4.61412200   11.30997000    5.90815200
 H                  3.00641100   10.75867000    5.19477300
 C                 -0.34526400    7.48141600    1.98843900
 H                  0.61549000    6.96525400    2.08186000
 H                 -0.44530900    8.12419900    2.86899900
 H                 -1.14013800    6.73318400    2.01827400
 C                  1.98285100   13.59597200    5.25991100
 H                  1.51272500   12.68200200    5.63350900
 H                  3.03943500   13.36526900    5.10007500
 H                  1.91047300   14.36482500    6.03256400
 C                 -0.29630400   17.20775700    2.56968500
 H                 -1.00827800   17.42663000    3.37132700
 H                  0.51008400   17.94499100    2.64283600
 H                 -0.80572800   17.36687000    1.61626200
 C                 -2.58423600    8.59679300   -2.40265100
 H                 -2.45686500    7.63091200   -2.90274500
 H                 -3.56715500    8.58477900   -1.92254700
 H                 -2.59473400    9.37063900   -3.17369200
 C                  6.61580800    9.76918200    0.28454400
 H                  6.77521100   10.01826200    1.33787200
 H                  5.98870900    8.87175100    0.26280100
 H                  7.58134000    9.52068200   -0.16156500
 C                  6.60768500   13.11692600   -3.49597500
 H                  7.52337900   13.65235700   -3.22406400
 H                  6.88796600   12.34460200   -4.21851200
 H                  5.94607000   13.82500700   -4.00057400
 H                  5.88614400   10.06043100    4.33500200
 C                  4.38193200    8.96017000    3.32717700
 H                  4.86761000    8.83322400    2.35957800
 H                  4.36291000    8.03729600    3.90858400
 O                  3.15684800    9.56936200    3.25738100
 H                  2.44998400    8.93773500    3.03720800
   
 B 72 41 S 5 -0.067
 
     


