PM7 Accuracy

3(dimethylamino) propanenitrile    630 3(Dimethylamino) propanenitrile

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    #  Species Formula
   620 DiethylcyanamideC5H10N2
   621 ButylmethyldiazeneC5H12N2
   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) propanenitrile C6H12N2
   631 TetramethyldiazetineC6H12N2
   632 TriethylenediamineC6H12N2
   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


DHf: 21.6 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
3(Dimethylamino) propanenitrile
 H=21.6 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.15670510  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.44398547  1  179.9917706  1    0.0000000  0     2     1     0
  N     3.81255078  1  132.1137059  1  176.0148180  1     3     2     1
  C     1.47810153  1  108.5105250  1  -65.6659257  1     4     3     2
  C     1.47868134  1  130.3827318  1 -139.7756017  1     4     3     5
  H     1.11666601  1  110.3264103  1 -124.2150585  1     3     2     4
  H     1.11686332  1  110.3972774  1 -116.0242801  1     3     2     7
  H     1.09964734  1  114.6150825  1  -89.1019261  1     5     4     3
  H     1.10223134  1  109.4426941  1  122.2103813  1     5     4     9
  H     1.10351472  1  108.6840416  1  116.3589914  1     5     4    10
  H     1.09932318  1  114.6884275  1   76.2018631  1     6     4     3
  H     1.10281238  1  109.0688426  1 -122.2918013  1     6     4    12
  H     1.10348166  1  108.8493715  1 -116.1618870  1     6     4    13
  C     1.53645181  1  110.4585860  1 -121.9869289  1     3     2     8
  C     1.48426263  1   23.6943831  1   38.5800234  1     4     3     6
  H     1.10982806  1  110.7531283  1   62.0639628  1    15     3     2
  H     1.10596836  1  110.5050672  1 -116.4190570  1    15     3    17
  H     1.10975211  1  113.0148607  1  130.0491526  1    16     4     3
  H     1.11240189  1  108.8520385  1  118.4103355  1    16     4    19