PM7 Accuracy

1,2,3,6-tetrahydropyridine    496 1,2,3,6-Tetrahydropyridine

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    #  Species Formula
   486 ButanenitrileC4H7N
   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-Tetrahydropyridine C5H9N
   497 2-CyanobutaneC5H9N
   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


DHf: 7.1 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
1,2,3,6-Tetrahydropyridine
 H=7.1 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.47677614  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54521166  1  113.0673752  1    0.0000000  0     2     1     0
  C     1.49474186  1  111.5057381  1  -42.3429683  1     3     2     1
  C     1.33574643  1  122.9220914  1   12.9773342  1     4     3     2
  C     1.48092493  1  110.5079408  1   59.0878843  1     1     2     3
  H     1.02016105  1  110.1537233  1 -121.9609203  1     1     2     6
  H     1.11230270  1  108.0462742  1 -121.9621159  1     2     1     3
  H     1.11011707  1  108.1538508  1 -115.0428498  1     2     1     8
  H     1.10770396  1  109.5761735  1 -122.6666931  1     3     2     4
  H     1.10923678  1  110.1166566  1 -115.6725408  1     3     2    10
  H     1.08794933  1  115.0917163  1  179.4661281  1     4     3     5
  H     1.08555417  1  122.5065149  1 -179.6381817  1     5     4     3
  H     1.11768189  1  107.4937825  1   76.5057723  1     6     1     2
  H     1.11301017  1  108.2143650  1  114.0243597  1     6     1    14