Accuracy

3,5-dimethyl isoxazole    946 3,5-Dimethyl isoxazole

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    #  Species Formula
   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 oxideC5H5NO
   946 3,5-Dimethyl isoxazole C5H7NO
   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
   956 3-Hydroxy-6-methylpyridineC6H7NO


ΔHf: -4.3 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
3,5-Dimethyl isoxazole
 H=-4.3 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.37740918 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.33083981 +1  108.5786276 +1    0.0000000 +0     2     1     0
  C     1.45124181 +1  109.1862407 +1   -0.0057718 +1     3     2     1
  C     1.36979317 +1  104.6924580 +1   -0.0174086 +1     4     3     2
  C     1.47493916 +1  124.1512160 +1 -179.9923001 +1     3     2     4
  C     1.46380775 +1  135.5459763 +1 -179.9975836 +1     5     4     3
  H     1.06514189 +1  125.5733140 +1 -179.9969436 +1     4     3     5
  H     1.10194787 +1  111.2566869 +1  119.9517626 +1     6     3     2
  H     1.10194307 +1  111.2699842 +1  119.7986259 +1     6     3     9
  H     1.10352034 +1  112.1379568 +1  120.1105553 +1     6     3    10
  H     1.10472804 +1  111.7520451 +1 -120.4363385 +1     7     5     4
  H     1.10465267 +1  111.7461886 +1 -119.4376496 +1     7     5    12
  H     1.10216142 +1  111.9581024 +1 -120.3332533 +1     7     5    13