Accuracy

3-methyl isoxazole    932 3-Methyl isoxazole

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    #  Species Formula
   922 AcetaldoximeC2H5NO
   923 AcetamideC2H5NO
   924 IsoxazoleC3H3NO
   925 OxaloneC3H3NO
   926 AcrylamineC3H5NO
   927 MethoxyacetonitrileC3H5NO
   928 DimethylformamideC3H7NO
   929 N-Methyl acetamideC3H7NO
   930 PropanamideC3H7NO
   931 DimethylaminomethanolC3H9NO
   932 3-Methyl isoxazole C4H5NO
   933 5-Methyl isoxazoleC4H5NO
   934 2-PyrrolidinoneC4H7NO
   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


ΔHf: 8.5 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
3-Methyl isoxazole
 H=8.52 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.36682035 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.37707931 +1  109.6430535 +1    0.0000000 +0     2     1     0
  N     1.37618314 +1  108.2778689 +1   -0.0047829 +1     3     2     1
  C     1.33068413 +1  108.5512336 +1   -0.0114391 +1     4     3     2
  C     1.47412441 +1  124.4092838 +1 -179.9989051 +1     5     4     3
  H     1.06643545 +1  129.9661798 +1 -179.9986204 +1     1     2     3
  H     1.06636820 +1  135.5435864 +1 -179.9999961 +1     2     1     3
  H     1.10216719 +1  111.3804155 +1  120.3033283 +1     6     5     4
  H     1.10218976 +1  111.3882011 +1  119.8589712 +1     6     5     9
  H     1.10386067 +1  112.1842175 +1  120.0726922 +1     6     5    10