PM7 Accuracy

3,5-dimethyl isoxazole    949 3,5-Dimethyl isoxazole

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    #  Species Formula
   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 oxideC5H5NO
   949 3,5-Dimethyl isoxazole C5H7NO
   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
   959 3-Hydroxy-6-methylpyridineC6H7NO


DHf: -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