PM7 Accuracy

2,5-dimethyl phenol    815 2,5-Dimethyl phenol

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    #  Species Formula
   805 t-Butyl ethyl ketoneC7H14O
   806 n-HeptanolC7H16O
   807 t-Butyl isopropyl etherC7H16O
   808 BenzofuranC8H6O
   809 1,3-Dihydro isobenzofuranC8H8O
   810 1-PhenylethenolC8H8O
   811 2,3-Dihydro-benzofuranC8H8O
   812 AcetophenoneC8H8O
   813 2,3-Dimethyl phenolC8H10O
   814 2,4-Dimethyl phenolC8H10O
   815 2,5-Dimethyl phenol C8H10O
   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 PhenetoleC8H10O
   825 1-MethylnorcamphorC8H12O


DHf: -38.7 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
2,5-Dimethyl phenol
 H=-38.7 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39944298  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39735051  1  117.5307464  1    0.0000000  0     2     1     0
  C     1.39017356  1  121.0063909  1   -0.0133845  1     3     2     1
  C     1.40092986  1  120.4255883  1    0.0146461  1     4     3     2
  C     1.39129313  1  119.8019903  1   -0.0089186  1     5     4     3
  O     1.35952436  1  123.2970733  1 -179.9873893  1     1     2     3
  C     1.48863211  1  122.4206188  1  179.9887932  1     2     1     3
  C     1.49099456  1  119.6794981  1 -179.9687934  1     5     4     6
  H     1.08955869  1  119.3642744  1 -179.9935736  1     3     2     4
  H     1.08629784  1  119.8570156  1  179.9994368  1     4     3     5
  H     1.08659809  1  121.7824123  1  179.9895621  1     6     5     4
  H     0.98981234  1  112.1532146  1   -0.1015406  1     7     1     2
  H     1.10142081  1  111.1771100  1  120.5920538  1     8     2     1
  H     1.10158963  1  111.1465241  1  119.2670825  1     8     2    14
  H     1.09816228  1  113.6809152  1  120.2886835  1     8     2    15
  H     1.10021159  1  111.1929370  1   59.6995180  1     9     5     4
  H     1.10023913  1  111.1993990  1 -119.4228907  1     9     5    17
  H     1.09836212  1  112.7794482  1 -120.2836722  1     9     5    18