Accuracy

2-cyclohexenecarbonitrile    519 2-Cyclohexenecarbonitrile

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    #  Species Formula
   509 2-MethylpiperidineC6H13N
   510 CyclohexamethylenimineC6H13N
   511 CyclohexanamineC6H13N
   512 Di-n-propylamineC6H15N
   513 DiiospropylamineC6H15N
   514 TriethylamineC6H15N
   515 Trimethylborane-TrimethylamineH18BC6N
   516 Phenyl cyanideC7H5N
   517 1-CyclohexenecarbonitrileC7H9N
   518 2,6-DimethylpyridineC7H9N
   519 2-Cyclohexenecarbonitrile C7H9N
   520 BenzylamineC7H9N
   521 m-ToluidineC7H9N
   522 N-MethylanilineC7H9N
   523 o-ToluidineC7H9N
   524 p-ToluidineC7H9N
   525 CyanocyclohexaneC7H11N
   526 CyclohexanecarbonitrileC7H11N
   527 Hexahydro-1H-pyrrolizineC7H13N
   528 n-HeptanenitrileC7H13N
   529 IsopropylbutylamineC7H17N


ΔHf: 26.2 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
2-Cyclohexenecarbonitrile
 H=26.22 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53118280 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53483570 +1  110.1507483 +1    0.0000000 +0     2     1     0
  C     1.49334465 +1  112.0967184 +1  -46.5280753 +1     3     2     1
  C     1.33530213 +1  123.7054580 +1   16.6797427 +1     4     3     2
  C     1.50477022 +1  123.2633075 +1   -0.2163396 +1     5     4     3
  C     1.45359916 +1  108.8344439 +1 -107.4145847 +1     6     5     4
  N     1.15650410 +1  143.7220071 +1 -179.6467026 +1     7     5     6
  H     1.10715867 +1  109.9462313 +1  -59.2574096 +1     1     2     3
  H     1.10578890 +1  110.5639895 +1 -116.9501787 +1     1     2     9
  H     1.10811184 +1  109.9775429 +1 -121.2669492 +1     2     1     3
  H     1.10518082 +1  110.4614342 +1 -116.5711371 +1     2     1    11
  H     1.10964269 +1  109.7164863 +1 -122.9676228 +1     3     2     4
  H     1.11173989 +1  109.9556280 +1 -115.4792803 +1     3     2    13
  H     1.09046266 +1  114.9248371 +1  179.4164896 +1     4     3     5
  H     1.08781118 +1  122.1040518 +1 -179.6004915 +1     5     4     6
  H     1.12879362 +1  108.7586397 +1 -118.6189477 +1     6     5     7