Accuracy

2-cyanobutane    495 2-Cyanobutane

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


ΔHf: 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