PM7 Accuracy

pyridine 1 oxide    948 Pyridine 1 oxide

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    #  Species Formula
   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-PyridinolC5H5NO
   948 Pyridine 1 oxide C5H5NO
   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
   958 3-Hydroxy-2-methylpyridineC6H7NO


DHf: 21.0 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
Pyridine 1 oxide
 H=21.0 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.38988693  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39357363  1  120.2908913  1    0.0000000  0     2     1     0
  C     1.39376599  1  118.7588133  1    0.0172659  1     3     2     1
  C     1.38955206  1  120.3057136  1   -0.0064016  1     4     3     2
  N     1.37567431  1  120.3332164  1   -0.0052791  1     1     2     3
  O     1.24498805  1  120.0173105  1  179.9976456  1     6     1     2
  H     1.09244466  1  122.7053853  1  179.9993296  1     1     2     6
  H     1.09132691  1  119.2269371  1 -179.9936846  1     2     1     3
  H     1.08625223  1  120.6451589  1  179.9956003  1     3     2     4
  H     1.09138594  1  120.4515821  1  179.9976501  1     4     3     5
  H     1.09235465  1  122.7400398  1  179.9932865  1     5     4     3