PM7 Accuracy

2-Methyl-3-pyridinol    957 2-Methyl-3-pyridinol

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    #  Species Formula
   947 4-PyridinolC5H5NO
   948 Pyridine 1 oxideC5H5NO
   949 3,5-Dimethyl isoxazoleC5H7NO
   950 1-Methyl-2-pyrrolidinoneC5H9NO
   951 2-Ethyl-4,5-dihydro-oxazoleC5H9NO
   952 N,N-Dimethylamino-2-propen-3-alC5H9NO
   953 1-(Dimethylamino)-2-propanoneC5H11NO
   954 2,2-Dimethyl-propanamideC5H11NO
   955 N,N-Dimethyl propanamideC5H11NO
   956 2-Hydroxy-6-methylpyridineC6H7NO
   957 2-Methyl-3-pyridinol C6H7NO
   958 3-Hydroxy-2-methylpyridineC6H7NO
   959 3-Hydroxy-6-methylpyridineC6H7NO
   960 4-Hydroxy-2-methylpyridineC6H7NO
   961 6-Methyl-2(1H)-pyridinoneC6H7NO
   962 m-Amino phenolC6H7NO
   963 o-Amino phenolC6H7NO
   964 p-Amino phenolC6H7NO
   965 Trimethyl isoxazoleC6H9NO
   966 CaprolactamC6H11NO
   967 Cyclohexanone oximeC6H11NO


DHf: -20.2 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-Methyl-3-pyridinol
 H=-20.2 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.34405766  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40260698  1  122.9032338  1    0.0000000  0     2     1     0
  C     1.38987706  1  118.7892679  1   -0.0024228  1     3     2     1
  C     1.39733886  1  118.0326372  1    0.0043558  1     4     3     2
  C     1.34663713  1  119.2979175  1   -0.0079420  1     1     2     3
  C     1.49104243  1  116.8053728  1  179.9309816  1     6     1     2
  H     1.08679274  1  120.4341298  1  179.9964866  1     3     2     4
  H     1.08884293  1  121.9622981  1 -179.9836272  1     4     3     5
  O     1.35604847  1  115.5287503  1 -179.9444434  1     5     4     3
  H     1.10418371  1  110.7213366  1  -60.5072458  1     7     6     1
  H     1.10460879  1  110.7082935  1  117.0500967  1     7     6    11
  H     1.09553883  1  113.8761333  1  121.3066308  1     7     6    12
  H     0.99173804  1  111.9546386  1 -179.9502744  1    10     5     4
  H     1.09513304  1  115.5079924  1 -179.9970431  1     2     1     3