PM7 Accuracy

1,4,5,6-tetrahydropyrimidine    613 1,4,5,6-Tetrahydropyrimidine

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    #  Species Formula
   603 ImidazoleC3H4N2
   604 1,2-PropanediamineC3H10N2
   605 DicyanoacetyleneC4N2
   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-Tetrahydropyrimidine C4H8N2
   614 PiperazineC4H10N2
   615 2-AminopyridineC5H6N2
   616 3-AminopyridineC5H6N2
   617 4-AminopyridineC5H6N2
   618 Dimethyl propanedinitrileC5H6N2
   619 2-Ethyl-1H-imidazoleC5H8N2
   620 DiethylcyanamideC5H10N2
   621 ButylmethyldiazeneC5H12N2
   622 ButylmethyldiazineC5H12N2
   623 N,N-Dimethyl-1,3-propanediamineC5H14N2


DHf: 13.2 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
1,4,5,6-Tetrahydropyrimidine
 H=13.2 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.45301494  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54189626  1  113.4149701  1    0.0000000  0     2     1     0
  C     1.53927021  1  108.6874195  1  -46.5256755  1     3     2     1
  N     1.47435211  1  112.3149510  1   52.6489127  1     4     3     2
  C     1.28660598  1  120.8196691  1   18.5519105  1     1     2     3
  H     1.11416277  1  108.5851357  1 -123.3476197  1     2     1     3
  H     1.11475324  1  107.0345995  1 -114.4172078  1     2     1     7
  H     1.10227911  1  110.8279883  1 -121.6636154  1     3     2     4
  H     1.10467349  1  110.0872622  1 -117.2198502  1     3     2     9
  H     1.11639499  1  109.6602179  1 -118.9777973  1     4     3     5
  H     1.10897848  1  110.8497562  1 -117.6203021  1     4     3    11
  H     1.01121996  1  114.7537133  1  108.2203251  1     5     4     3
  H     1.10287853  1  119.2682306  1 -178.1249785  1     6     1     2