Accuracy

cyclohexanecarbonitrile    526 Cyclohexanecarbonitrile

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    #  Species Formula
   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 CyanocyclohexaneC7H11N
   526 Cyclohexanecarbonitrile C7H11N
   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
   536 n-Heptyl cyanideC8H15N


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
Cyclohexanecarbonitrile
 H=-0.85 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54267890 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.52397959 +1   89.5825304 +1    0.0000000 +0     2     1     0
  C     1.53435569 +1   90.1618648 +1   -0.7548080 +1     3     2     1
  C     1.53213785 +1  110.7365162 +1  -28.6599461 +1     4     3     2
  C     1.45000529 +1  109.7634188 +1  150.7280147 +1     1     2     3
  N     1.15671229 +1  143.5909068 +1  179.9902895 +1     6     2     1
  H     1.12496692 +1  108.7396667 +1  119.7066193 +1     1     2     6
  H     1.10690638 +1  110.1191352 +1  -92.8255200 +1     2     1     3
  H     1.10598723 +1  110.2345261 +1 -116.6711908 +1     2     1     9
  H     1.10601647 +1   93.2768355 +1 -109.9974732 +1     3     2     4
  H     1.10576963 +1  144.5239677 +1 -123.7156706 +1     3     2    11
  H     1.10621846 +1  110.0334427 +1 -121.7599410 +1     4     3     5
  H     1.10637111 +1  109.9924982 +1 -116.1682022 +1     4     3    13
  H     1.10595700 +1  110.3435064 +1  179.3233925 +1     5     4     3
  H     1.10682019 +1  110.1620229 +1  116.8438121 +1     5     4    15
  C     1.53238782 +1  109.9269976 +1 -121.8815125 +1     2     1    10
  H     1.10633310 +1  109.8946364 +1 -179.2112137 +1    17     2     1
  H     1.10632698 +1  110.2169947 +1 -116.3028211 +1    17     2    18