PM7 Accuracy

cyclohexamethylenimine    512 Cyclohexamethylenimine

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    #  Species Formula
   502 N-Methyl-n-butylamineC5H13N
   503 1-CyclopentenecarbonitrileC6H7N
   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 Cyclohexamethylenimine C6H13N
   513 CyclohexanamineC6H13N
   514 Di-n-propylamineC6H15N
   515 DiiospropylamineC6H15N
   516 TriethylamineC6H15N
   517 Trimethylborane-TrimethylamineH18BC6N
   518 Phenyl cyanideC7H5N
   519 1-CyclohexenecarbonitrileC7H9N
   520 2,6-DimethylpyridineC7H9N
   521 2-CyclohexenecarbonitrileC7H9N
   522 BenzylamineC7H9N


DHf: -10.8 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
Cyclohexamethylenimine
 H=-10.8 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.47439363  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54489963  1  116.4028179  1    0.0000000  0     2     1     0
  C     1.53263895  1  114.7409619  1  -33.6494554  1     3     2     1
  C     1.53550848  1  113.4248356  1  -44.6033009  1     4     3     2
  C     1.53312378  1  111.8076598  1   91.0970842  1     5     4     3
  C     1.47498820  1  113.3209695  1   87.3396383  1     1     2     3
  H     1.01728388  1  110.8765462  1 -125.4688381  1     1     2     7
  H     1.11098972  1  109.2135781  1 -124.9327900  1     2     1     3
  H     1.11599851  1  106.0271506  1 -113.6229945  1     2     1     9
  H     1.10674436  1  108.4993629  1 -122.9488444  1     3     2     4
  H     1.10714099  1  109.2687104  1 -114.5430902  1     3     2    11
  H     1.10800233  1  108.8159179  1 -122.1104522  1     4     3     5
  H     1.10665505  1  109.8788507  1 -114.5431521  1     4     3    13
  H     1.10557194  1  110.2274500  1 -123.0175315  1     5     4     6
  H     1.10695605  1  109.5295817  1 -115.7655546  1     5     4    15
  H     1.10653930  1  109.6648366  1  165.4762437  1     6     5     4
  H     1.10536214  1  110.0938323  1 -115.7266217  1     6     5    17
  H     1.11117027  1  108.9469575  1   48.2280409  1     7     1     2
  H     1.11527002  1  106.3542998  1  113.8417842  1     7     1    19