Accuracy

nco    917 NCO

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    #  Species Formula
   907 p-HydroxybiphenylC12H10O
   908 Isobutyl phenyl ketoneC12H16O
   909 2,6-DiisopropylphenolC12H18O
   910 BenzophenoneC13H10O
   911 AnthoneC14H10O
   912 1,1'-DiadamantylketoneC21H30O
   913 Nitric oxide, cationNO
   914 Nitric oxideNO
   915 Nitrogen oxide (Geo)NO
   916 Lithium oxynitride (Geo)LiNO
   917 NCO CNO
   918 Hydrogen isocyanate (Geo)HCNO
   919 Hydrogen isocyanateHCNO
   920 FormamideCH3NO
   921 Formamide (Geo)CH3NO
   922 AcetaldoximeC2H5NO
   923 AcetamideC2H5NO
   924 IsoxazoleC3H3NO
   925 OxaloneC3H3NO
   926 AcrylamineC3H5NO
   927 MethoxyacetonitrileC3H5NO


ΔHf: 38.1 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
  
 PM7
NCO
 H=38.1 HR=JANAF86
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.22788146 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.18671160 +1  179.9987377 +1  180.0000000 +0     2     1     0