PM7 Accuracy

o-cresol    790 o-Cresol

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    #  Species Formula
   780 t-Butyl methyl etherC5H12O
   781 Phenoxy, anionC6H5O
   782 PhenolC6H6O
   783 4-Methyl-3-penten-2-oneC6H10O
   784 CyclohexanoneC6H10O
   785 Methyl neopentyl ketoneC6H12O
   786 Di-isopropyl etherC6H14O
   787 BenzaldehydeC7H6O
   788 AnisoleC7H8O
   789 m-CresolC7H8O
   790 o-Cresol C7H8O
   791 p-CresolC7H8O
   792 2-Methyl-5-hexen-3-yn-2-olC7H10O
   793 2-NorbornanoneC7H10O
   794 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O
   795 Norbornan-7-oneC7H10O
   796 1-Methoxy cyclohexeneC7H12O
   797 Bicyclo[2.2.1]heptan-7-olC7H12O
   798 cis-1,2-EpoxycycloheptaneC7H12O
   799 CycloheptanoneC7H12O
   800 2,4-Dimethyl 3-pentanoneC7H14O


DHf: -30.7 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
o-Cresol
 H=-30.67 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39783261  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39047819  1  120.7266488  1    0.0000000  0     2     1     0
  C     1.40638214  1  117.6646572  1    0.0294632  1     3     2     1
  C     1.39244557  1  122.5560020  1    0.0066406  1     4     3     2
  C     1.39110291  1  120.4169904  1   -0.0185511  1     1     2     3
  C     1.48609908  1  122.5135093  1 -179.9748071  1     3     2     4
  O     1.36152945  1  115.1681283  1 -179.9983474  1     4     3     5
  H     1.08702379  1  119.5855191  1  179.9958542  1     1     2     6
  H     1.08922108  1  119.5147254  1  179.9988409  1     2     1     3
  H     1.08397605  1  121.0434258  1  179.9861120  1     5     4     3
  H     1.08880526  1  120.1100323  1  179.9937857  1     6     1     2
  H     1.10234294  1  110.9822405  1  120.5986274  1     7     3     2
  H     1.10239420  1  110.9949806  1  117.8723201  1     7     3    13
  H     1.09651986  1  113.0138556  1  121.0744306  1     7     3    14
  H     0.98707502  1  111.8347331  1 -179.9789834  1     8     4     3