PM7 Accuracy

1-cyclopentenecarbonitrile    503 1-Cyclopentenecarbonitrile

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    #  Species Formula
   493 Pyridine (Geo)C5H5N
   494 PyridineC5H5N
   495 N-Methyl pyrroleC5H7N
   496 1,2,3,6-TetrahydropyridineC5H9N
   497 2-CyanobutaneC5H9N
   498 Butyl cyanideC5H9N
   499 t-ButylnitrileC5H9N
   500 CyclopentylamineC5H11N
   501 PiperidineC5H11N
   502 N-Methyl-n-butylamineC5H13N
   503 1-Cyclopentenecarbonitrile C6H7N
   504 2-CyclopentenecarbonitrileC6H7N
   505 2-Methyl pyridineC6H7N
   506 3-Methyl pyridineC6H7N
   507 4-Methyl pyridineC6H7N
   508 AnilineC6H7N
   509 2,5-Dimethyl-1H-pyrroleC6H9N
   510 CyclopentanecarbonitrileC6H9N
   511 2-MethylpiperidineC6H13N
   512 CyclohexamethylenimineC6H13N
   513 CyclohexanamineC6H13N


DHf: 37.4 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-Cyclopentenecarbonitrile
 H=37.38 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.55128258  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.49903954  1  105.0629979  1    0.0000000  0     2     1     0
  C     1.34457907  1  111.7403236  1    0.0003432  1     3     2     1
  C     1.50663077  1  112.6827449  1   -0.0149454  1     4     3     2
  C     1.41058662  1  126.8924977  1 -179.9846438  1     4     3     5
  N     1.15826329  1  154.4541990  1  179.9972210  1     6     3     4
  H     1.10066777  1  111.0444527  1 -120.8403940  1     1     2     3
  H     1.10065709  1  111.0389754  1 -118.3070467  1     1     2     8
  H     1.10529882  1  111.4913577  1 -120.7702642  1     2     1     3
  H     1.10514913  1  111.5340905  1 -118.3902033  1     2     1    10
  H     1.07730675  1  120.7922490  1  179.9925013  1     3     2     4
  H     1.10458658  1  111.5184977  1  120.6853092  1     5     4     3
  H     1.10459661  1  111.5036089  1  118.7068372  1     5     4    13