PM7 Accuracy

phenetole    824 Phenetole

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    #  Species Formula
   814 2,4-Dimethyl phenolC8H10O
   815 2,5-Dimethyl phenolC8H10O
   816 2,6-Dimethyl phenolC8H10O
   817 2-Ethyl phenolC8H10O
   818 3,4-Dimethyl phenolC8H10O
   819 3,5-Dimethyl phenolC8H10O
   820 3-Ethyl phenolC8H10O
   821 4-Ethyl phenolC8H10O
   822 Benzyl alcoholC8H10O
   823 EthoxybenzeneC8H10O
   824 Phenetole C8H10O
   825 1-MethylnorcamphorC8H12O
   826 Bicyclo[2.2.2]octanoneC8H12O
   827 Bicyclo[3.2.1]octan-2-oneC8H12O
   828 Bicyclo[3.2.1]octan-3-oneC8H12O
   829 Bicyclo[3.2.1]octan-8-oneC8H12O
   830 cis-Bicyclo[3.3.0]-octan-2-oneC8H12O
   831 trans-Bicyclo[3.3.0]-octan-2-oneC8H12O
   832 3-Oxabicyclo[3,2,2]nonaneC8H14O
   833 6-Methyl-5-hepten-2-oneC8H14O
   834 8-Oxatricyclo[3,2,1,0(1,5)]octaneC8H14O


DHf: -26.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Phenetole
 H=-26.3 HR=C&P1970
  C     0.00882387  1   0.02774151  1   0.04351378  1
  C     2.73530735  1  -0.41106844  1  -0.18851173  1
  C     0.82230149  1   0.98957107  1  -0.54700100  1
  C     0.56545907  1  -1.16427273  1   0.51660302  1
  C     2.19577339  1   0.78019066  1  -0.67266919  1
  C     1.92814471  1  -1.39614149  1   0.40652558  1
  O     4.05010836  1  -0.74950006  1  -0.19604096  1
  C     4.96908172  1   0.07782466  1  -0.90163807  1
  C     4.86884701  1  -0.17528641  1  -2.39740883  1
  H    -1.05925152  1   0.20056383  1   0.13691981  1
  H     0.38516017  1   1.91659828  1  -0.91661174  1
  H    -0.07698675  1  -1.91597960  1   0.97447327  1
  H     2.81627156  1   1.53814053  1  -1.13528819  1
  H     2.38041552  1  -2.31562920  1   0.76841625  1
  H     5.93120844  1  -0.27849603  1  -0.47991466  1
  H     4.83063057  1   1.13767800  1  -0.63153990  1
  H     4.95971570  1  -1.24744472  1  -2.62065747  1
  H     3.90200382  1   0.15006710  1  -2.80162332  1
  H     5.65790707  1   0.34811733  1  -2.94808162  1