Accuracy

pyridine 1 oxide    945 Pyridine 1 oxide

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    #  Species Formula
   935 4,5-Dihydro-2-methyl oxazoleC4H7NO
   936 MethacrylamideC4H7NO
   937 2-Methyl propanamideC4H9NO
   938 ButanamideC4H9NO
   939 IsobutylamideC4H9NO
   940 N,N-dimethyl acetamideC4H9NO
   941 N,N-Diethyl-hydroxylamineC4H11NO
   942 2-PyridinolC5H5NO
   943 3-PyridinolC5H5NO
   944 4-PyridinolC5H5NO
   945 Pyridine 1 oxide C5H5NO
   946 3,5-Dimethyl isoxazoleC5H7NO
   947 1-Methyl-2-pyrrolidinoneC5H9NO
   948 2-Ethyl-4,5-dihydro-oxazoleC5H9NO
   949 N,N-Dimethylamino-2-propen-3-alC5H9NO
   950 1-(Dimethylamino)-2-propanoneC5H11NO
   951 2,2-Dimethyl-propanamideC5H11NO
   952 N,N-Dimethyl propanamideC5H11NO
   953 2-Hydroxy-6-methylpyridineC6H7NO
   954 2-Methyl-3-pyridinolC6H7NO
   955 3-Hydroxy-2-methylpyridineC6H7NO


ΔHf: 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