PM7 Accuracy

methoxyacetonitrile    930 Methoxyacetonitrile

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    #  Species Formula
   920 NCOCNO
   921 Hydrogen isocyanate (Geo)HCNO
   922 Hydrogen isocyanateHCNO
   923 FormamideCH3NO
   924 Formamide (Geo)CH3NO
   925 AcetaldoximeC2H5NO
   926 AcetamideC2H5NO
   927 IsoxazoleC3H3NO
   928 OxaloneC3H3NO
   929 AcrylamineC3H5NO
   930 Methoxyacetonitrile C3H5NO
   931 DimethylformamideC3H7NO
   932 N-Methyl acetamideC3H7NO
   933 PropanamideC3H7NO
   934 DimethylaminomethanolC3H9NO
   935 3-Methyl isoxazoleC4H5NO
   936 5-Methyl isoxazoleC4H5NO
   937 2-PyrrolidinoneC4H7NO
   938 4,5-Dihydro-2-methyl oxazoleC4H7NO
   939 MethacrylamideC4H7NO
   940 2-Methyl propanamideC4H9NO


DHf: -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
Methoxyacetonitrile
 H=-8.5 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.15550841  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.45358215  1  179.5516884  1    0.0000000  0     2     1     0
  O     1.42607065  1  105.1584603  1  179.6009648  1     3     2     1
  C     1.41599030  1  112.2815088  1  178.7806667  1     4     3     2
  H     1.11360381  1  111.4681357  1 -118.6926247  1     3     2     4
  H     1.11319843  1  111.4659367  1 -122.3494490  1     3     2     6
  H     1.09431671  1  111.4177808  1   62.0443916  1     5     4     3
  H     1.09433127  1  111.3587977  1 -124.8253271  1     5     4     8
  H     1.10006214  1  102.2928472  1 -117.5764671  1     5     4     9