PM7 Accuracy

pyrazine    608 Pyrazine

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    #  Species Formula
   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 FumaronitrileC4H2N2
   607 1,3-DiazineC4H4N2
   608 Pyrazine C4H4N2
   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
   617 4-AminopyridineC5H6N2
   618 Dimethyl propanedinitrileC5H6N2


DHf: 46.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 GEO-OK PM7
Pyrazine
 H=46.9 HR=C&P1970
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.41018548  1    0.0000000  0    0.0000000  0     1     0     0
  N     1.34480654  1  120.9819909  1    0.0000000  0     2     1     0
  C     1.34481401  1  118.0069882  1   -0.0091533  1     3     2     1
  C     1.41031540  1  120.9920914  1    0.0031635  1     4     3     2
  N     1.34487702  1  121.0142592  1   -0.0022064  1     5     4     3
  H     1.09434160  1  122.3554851  1  179.9972961  1     5     4     3
  H     1.09430685  1  116.6245479  1 -179.9946680  1     4     3     2
  H     1.09422407  1  116.6490102  1 -179.9988691  1     1     6     5
  H     1.09428233  1  122.3137891  1 -179.9979360  1     2     1     6