Accuracy

Cyanocyclohexane    525 Cyanocyclohexane

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


ΔHf: -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