PM7 Accuracy

4-cyanopyridine    626 4-Cyanopyridine

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    #  Species Formula
   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
   624 2-CyanopyridineC6H4N2
   625 3-CyanopyridineC6H4N2
   626 4-Cyanopyridine C6H4N2
   627 2,3-Dimethyl pyrazineC6H8N2
   628 HexanedinitrileC6H8N2
   629 PhenylhydrazineC6H8N2
   630 3(Dimethylamino) propanenitrileC6H12N2
   631 TetramethyldiazetineC6H12N2
   632 TriethylenediamineC6H12N2
   633 1,2-DiisopropyldiazeneC6H14N2
   634 DipropyldiazeneC6H14N2
   635 1H-BenzimidazoleC7H6N2
   636 1H-IndazoleC7H6N2


DHf: 67.8 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
4-Cyanopyridine
 H=67.76 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.34519548  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40146306  1  122.6291529  1    0.0000000  0     2     1     0
  C     1.39734870  1  118.0219573  1    0.0168857  1     3     2     1
  C     1.39741292  1  119.8065026  1   -0.0018774  1     4     3     2
  C     1.34531871  1  118.8906629  1   -0.0091997  1     1     2     3
  C     1.42369776  1  120.0892207  1  179.9928064  1     4     3     5
  N     1.15682169  1  150.3455239  1  179.9827953  1     7     3     4
  H     1.09784247  1  115.7782428  1  179.9993189  1     2     1     3
  H     1.08796586  1  120.8060790  1 -179.9982939  1     3     2     4
  H     1.09780544  1  115.7914811  1  179.9911942  1     6     1     2
  H     1.08803572  1  121.1721034  1  179.9918030  1     5     4     3