PM7 Accuracy

1,3-diazine    607 1,3-Diazine

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    #  Species Formula
   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 FumaronitrileC4H2N2
   607 1,3-Diazine C4H4N2
   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
   617 4-AminopyridineC5H6N2


DHf: 47.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 GEO-OK PM7
1,3-Diazine
 H=47.0 HR=C&P1970
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.40088650  1    0.0000000  0    0.0000000  0     1     0     0
  N     1.34712630  1  121.5678626  1    0.0000000  0     2     1     0
  C     1.35309482  1  117.7274624  1    0.0081301  1     3     2     1
  N     1.35262436  1  124.3565430  1   -0.0021006  1     4     3     2
  C     1.34730372  1  117.7577346  1   -0.0069189  1     5     4     3
  H     1.10161340  1  117.7458310  1 -179.9993883  1     4     3     2
  H     1.09738641  1  116.1164835  1  179.9980618  1     6     5     4
  H     1.08384993  1  121.4770994  1 -179.9934006  1     1     6     5
  H     1.09745757  1  122.2822104  1  179.9940454  1     2     1     6