PM7 Accuracy

2-cyanobutane    497 2-Cyanobutane

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    #  Species Formula
   487 Isobutane nitrileC4H7N
   488 PyrrolidineC4H9N
   489 2-ButylamineC4H11N
   490 2-Methyl-1-propylamineC4H11N
   491 N-ButylamineC4H11N
   492 t-ButylamineC4H11N
   493 Pyridine (Geo)C5H5N
   494 PyridineC5H5N
   495 N-Methyl pyrroleC5H7N
   496 1,2,3,6-TetrahydropyridineC5H9N
   497 2-Cyanobutane C5H9N
   498 Butyl cyanideC5H9N
   499 t-ButylnitrileC5H9N
   500 CyclopentylamineC5H11N
   501 PiperidineC5H11N
   502 N-Methyl-n-butylamineC5H13N
   503 1-CyclopentenecarbonitrileC6H7N
   504 2-CyclopentenecarbonitrileC6H7N
   505 2-Methyl pyridineC6H7N
   506 3-Methyl pyridineC6H7N
   507 4-Methyl pyridineC6H7N


DHf: 0.6 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
2-Cyanobutane
 H=0.58 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52621263  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54424265  1  111.4023776  1    0.0000000  0     2     1     0
  C     1.53317552  1  111.8382282  1   77.8834628  1     3     2     1
  C     1.45328294  1  109.2671273  1  121.0189767  1     3     2     4
  N     1.15663533  1  143.5924432  1 -179.6555092  1     5     2     3
  H     1.09610912  1  111.8702081  1  -58.5027372  1     1     2     3
  H     1.09625302  1  111.8171979  1  120.7293663  1     1     2     7
  H     1.09736934  1  110.9764078  1  119.6204595  1     1     2     8
  H     1.10739682  1  110.2413517  1  122.4347114  1     2     1     3
  H     1.10911361  1  109.5193537  1  115.7376876  1     2     1    10
  H     1.12708085  1  108.7050950  1  118.6570152  1     3     2     5
  H     1.09719141  1  111.8277577  1   61.0778406  1     4     3     2
  H     1.09721120  1  111.5537492  1  120.2674206  1     4     3    13
  H     1.09690925  1  111.0145523  1  119.8631719  1     4     3    14