PM7 Accuracy

triethylenediamine    632 Triethylenediamine

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    #  Species Formula
   622 ButylmethyldiazineC5H12N2
   623 N,N-Dimethyl-1,3-propanediamineC5H14N2
   624 2-CyanopyridineC6H4N2
   625 3-CyanopyridineC6H4N2
   626 4-CyanopyridineC6H4N2
   627 2,3-Dimethyl pyrazineC6H8N2
   628 HexanedinitrileC6H8N2
   629 PhenylhydrazineC6H8N2
   630 3(Dimethylamino) propanenitrileC6H12N2
   631 TetramethyldiazetineC6H12N2
   632 Triethylenediamine C6H12N2
   633 1,2-DiisopropyldiazeneC6H14N2
   634 DipropyldiazeneC6H14N2
   635 1H-BenzimidazoleC7H6N2
   636 1H-IndazoleC7H6N2
   637 1-Methyl-1-phenylhydrazineC7H10N2
   638 t-ButylmalononitrileC7H10N2
   639 Trimethyl pyrazineC7H10N2
   640 1-PiperidineacetonitrileC7H12N2
   641 3,3,5,5-Tetramethyl-1-pyrazolineC7H14N2
   642 m-DicyanobenzeneC8H4N2


DHf: 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