PM7 Accuracy

4-pyridinol    947 4-Pyridinol

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    #  Species Formula
   937 2-PyrrolidinoneC4H7NO
   938 4,5-Dihydro-2-methyl oxazoleC4H7NO
   939 MethacrylamideC4H7NO
   940 2-Methyl propanamideC4H9NO
   941 ButanamideC4H9NO
   942 IsobutylamideC4H9NO
   943 N,N-dimethyl acetamideC4H9NO
   944 N,N-Diethyl-hydroxylamineC4H11NO
   945 2-PyridinolC5H5NO
   946 3-PyridinolC5H5NO
   947 4-Pyridinol C5H5NO
   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-pyridinolC6H7NO


DHf: -7.2 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
4-Pyridinol
 H=-7.2 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39534289  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40058338  1  117.0012110  1    0.0000000  0     2     1     0
  C     1.39683797  1  121.2334876  1   -0.0193855  1     3     2     1
  C     1.40048585  1  116.9551467  1   -0.0170488  1     4     3     2
  N     1.34561805  1  123.0409586  1    0.0377403  1     5     4     3
  H     1.95807778  1  143.5678131  1  179.9909752  1     3     2     4
  H     1.09751493  1  121.5577343  1 -179.9864930  1     1     2     3
  H     1.08475431  1  122.1998665  1  179.9930746  1     2     1     3
  O     0.99042854  1   39.5964575  1   -0.0006807  1     7     3     2
  H     1.08138838  1  122.0257050  1 -179.9956908  1     4     3     5
  H     1.09760062  1  121.3486237  1 -179.9831581  1     5     4     6