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

hncor    920 Hydrogen isocyanate (Geo)

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    #  Species Formula
   910 Isobutyl phenyl ketoneC12H16O
   911 2,6-DiisopropylphenolC12H18O
   912 BenzophenoneC13H10O
   913 AnthoneC14H10O
   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 AcetaldoximeC2H5NO
   925 AcetamideC2H5NO
   926 IsoxazoleC3H3NO
   927 OxaloneC3H3NO
   928 AcrylamineC3H5NO
   929 MethoxyacetonitrileC3H5NO
   930 DimethylformamideC3H7NO


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
Hydrogen isocyanate
 GR=JANAF86 <N-H> <C-N> <C-N-H> <C-O> <O-C-N> HWT=0.5
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     0.98700000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.20700000 +1  128.1000000 +1    0.0000000 +0     2     1     0
  O     1.17100000 +1  180.0000000 +1 -179.9923407 +1     3     2     1