PM7 Accuracy

Cyanocyclohexane    527 Cyanocyclohexane

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    #  Species Formula
   517 Trimethylborane-TrimethylamineH18BC6N
   518 Phenyl cyanideC7H5N
   519 1-CyclohexenecarbonitrileC7H9N
   520 2,6-DimethylpyridineC7H9N
   521 2-CyclohexenecarbonitrileC7H9N
   522 BenzylamineC7H9N
   523 m-ToluidineC7H9N
   524 N-MethylanilineC7H9N
   525 o-ToluidineC7H9N
   526 p-ToluidineC7H9N
   527 Cyanocyclohexane C7H11N
   528 CyclohexanecarbonitrileC7H11N
   529 Hexahydro-1H-pyrrolizineC7H13N
   530 n-HeptanenitrileC7H13N
   531 IsopropylbutylamineC7H17N
   532 1-NorbornylcyanideC8H11N
   533 1-NorbornylisocyanideC8H11N
   534 5-Ethyl-2-methyl-pyridineC8H11N
   535 N,N-Dimethyl anilineC8H11N
   536 N-Ethyl anilineC8H11N
   537 3-Azabicyclo[3.2.2]nonaneC8H15N


DHf: -0.9 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
Cyanocyclohexane
 H=-0.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54203971  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53254423  1  109.9364367  1    0.0000000  0     2     1     0
  C     1.53401986  1  110.6595883  1  -57.5885216  1     3     2     1
  C     1.53366975  1  110.7556931  1   57.2916314  1     4     3     2
  C     1.53240309  1  110.7197692  1  -57.2069538  1     5     4     3
  C     1.45067586  1  109.7168207  1  179.1184219  1     1     2     3
  N     1.15636749  1  143.5939248  1  179.8417953  1     7     2     1
  H     1.12527194  1  108.9316506  1  119.6803444  1     1     2     7
  H     1.10694848  1  110.1505519  1 -121.4540570  1     2     1     3
  H     1.10616272  1  110.2113280  1 -116.6930962  1     2     1    10
  H     1.10622985  1  109.9075534  1 -121.7561943  1     3     2     4
  H     1.10636097  1  110.2090783  1 -116.3135657  1     3     2    12
  H     1.10637456  1  109.9831945  1 -121.8202373  1     4     3     5
  H     1.10562276  1  109.9937285  1 -116.2261411  1     4     3    14
  H     1.10641972  1  110.0069669  1 -121.6688733  1     5     4     6
  H     1.10638196  1  110.0725331  1 -116.2308151  1     5     4    16
  H     1.10686328  1  110.0889998  1  -64.0386620  1     6     5     4
  H     1.10604936  1  110.3506221  1 -116.8293057  1     6     5    18