PM7 Accuracy

dicyanoacetylene    605 Dicyanoacetylene

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    #  Species Formula
   595 MethylhydrazineCH6N2
   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 Dicyanoacetylene C4N2
   606 FumaronitrileC4H2N2
   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


DHf: 126.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SHIFT=2 PM7
Dicyanoacetylene
 H=126.5 HR=C&P1970
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.15901814  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.37260149  1  180.0000000  0    0.0000000  0     2     1     0
  C     1.21594251  1  180.0000000  0    0.0000000  0     3     2     1
  C     1.37260149  1  180.0000000  0    0.0000000  0     4     3     2
  N     1.15901813  1  179.9900000  0    0.0000000  0     5     4     3