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

acetaldoxime    924 Acetaldoxime

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    #  Species Formula
   914 1,1'-DiadamantylketoneC21H30O
   915 Nitric oxide, cationNO
   916 Nitric oxideNO
   917 Nitrogen oxide (Geo)NO
   918 Lithium oxynitride (Geo)LiNO
   919 NCOCNO
   920 Hydrogen isocyanate (Geo)HCNO
   921 Hydrogen isocyanateHCNO
   922 FormamideCH3NO
   923 Formamide (Geo)CH3NO
   924 Acetaldoxime C2H5NO
   925 AcetamideC2H5NO
   926 IsoxazoleC3H3NO
   927 OxaloneC3H3NO
   928 AcrylamineC3H5NO
   929 MethoxyacetonitrileC3H5NO
   930 DimethylformamideC3H7NO
   931 N-Methyl acetamideC3H7NO
   932 PropanamideC3H7NO
   933 DimethylaminomethanolC3H9NO
   934 3-Methyl isoxazoleC4H5NO


ΔHf: -5.4 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
Acetaldoxime
 H=-5.39 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.49332356 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.29082627 +1  118.4614670 +1    0.0000000 +0     2     1     0
  O     1.38715846 +1  111.9877235 +1 -179.9815732 +1     3     2     1
  H     1.10022838 +1  110.8383986 +1  120.0283510 +1     1     2     3
  H     1.10195931 +1  112.7606453 +1   -0.1147279 +1     1     2     3
  H     1.10022356 +1  110.8519537 +1 -120.2721276 +1     1     2     3
  H     1.09647824 +1  116.4579100 +1  -59.9476416 +1     2     1     5
  H     1.00363054 +1  102.5417446 +1 -179.9863750 +1     4     3     2