PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

methoxyacetonitrile    929 Methoxyacetonitrile

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


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
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