PM7 Accuracy

fumaronitrile    606 Fumaronitrile

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    #  Species Formula
   596 Cyanogen (Geo)C2N2
   597 CyanogenC2N2
   598 Dimethyldiazene (Geo)C2H6N2
   599 1,1-DimethylhydrazineC2H8N2
   600 1,2-DimethylhydrazineC2H8N2
   601 EthylenediamineC2H8N2
   602 1H-PyrazoleC3H4N2
   603 ImidazoleC3H4N2
   604 1,2-PropanediamineC3H10N2
   605 DicyanoacetyleneC4N2
   606 Fumaronitrile C4H2N2
   607 1,3-DiazineC4H4N2
   608 PyrazineC4H4N2
   609 PyridazineC4H4N2
   610 SuccinonitrileC4H4N2
   611 2-Methyl-1H-imidazoleC4H6N2
   612 (Dimethylamino) acetonitrileC4H8N2
   613 1,4,5,6-TetrahydropyrimidineC4H8N2
   614 PiperazineC4H10N2
   615 2-AminopyridineC5H6N2
   616 3-AminopyridineC5H6N2


DHf: 81.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Fumaronitrile
 H=81.3 HR=C&P1970
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.34205584  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.10031752  1  122.8666293  1    0.0000000  0     2     1     0
  C     1.42019601  1  121.7875886  1   -0.0000316  1     1     2     3
  N     1.15723082  1  179.2172215  1  179.5182511  1     4     1     2
  H     1.10046214  1  122.8070565  1  179.9989237  1     1     2     3
  C     1.42030474  1  121.6551878  1  179.9992899  1     2     1     4
  N     1.15723608  1  179.3715721  1 -179.6011165  1     7     2     1