Accuracy

triethylenediamine    629 Triethylenediamine

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    #  Species Formula
   619 ButylmethyldiazeneC5H12N2
   620 N,N-Dimethyl-1,3-propanediamineC5H14N2
   621 2-CyanopyridineC6H4N2
   622 3-CyanopyridineC6H4N2
   623 4-CyanopyridineC6H4N2
   624 2,3-Dimethyl pyrazineC6H8N2
   625 HexanedinitrileC6H8N2
   626 PhenylhydrazineC6H8N2
   627 3(Dimethylamino) propanenitrileC6H12N2
   628 TetramethyldiazetineC6H12N2
   629 Triethylenediamine C6H12N2
   630 1,2-DiisopropyldiazeneC6H14N2
   631 DipropyldiazeneC6H14N2
   632 1H-BenzimidazoleC7H6N2
   633 1H-IndazoleC7H6N2
   634 1-Methyl-1-phenylhydrazineC7H10N2
   635 t-ButylmalononitrileC7H10N2
   636 Trimethyl pyrazineC7H10N2
   637 1-PiperidineacetonitrileC7H12N2
   638 3,3,5,5-Tetramethyl-1-pyrazolineC7H14N2
   639 m-DicyanobenzeneC8H4N2


ΔHf: 11.5 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
Triethylenediamine
 H=11.5 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.48758437 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.55822501 +1  110.4386423 +1    0.0000000 +0     2     1     0
  N     1.48744833 +1  110.4178794 +1   -0.0056498 +1     3     2     1
  C     1.48746974 +1  108.4989955 +1  -58.8530575 +1     4     3     2
  C     1.48750521 +1  108.4853680 +1   58.8448883 +1     1     2     3
  C     1.48760996 +1  108.5135506 +1 -117.6953041 +1     1     2     6
  C     1.48738877 +1  108.4958842 +1  117.6779098 +1     4     3     5
  H     1.10708270 +1  108.5259180 +1 -122.2934823 +1     2     1     3
  H     1.10709806 +1  111.3213063 +1  120.6313617 +1     3     2     4
  H     1.10711448 +1  111.3115909 +1  118.7600481 +1     3     2    10
  H     1.10709689 +1  108.5288387 +1 -178.8606793 +1     5     4     3
  H     1.10706226 +1  108.5508874 +1  115.4824983 +1     5     4    12
  H     1.10707154 +1  108.5396817 +1   63.4978744 +1     6     1     2
  H     1.10713228 +1  108.5231999 +1  115.4218013 +1     6     1    14
  H     1.10710138 +1  108.5334881 +1  -63.4608292 +1     7     1     2
  H     1.10712883 +1  108.5348159 +1   63.4762246 +1     8     4     3
  H     1.10714293 +1  108.5219804 +1  115.4299067 +1     8     4    17
  H     1.10712904 +1  108.5281849 +1 -115.4207714 +1     2     1     9
  H     1.10716686 +1  108.5196155 +1 -115.4072584 +1     7     1    16