PM7 Accuracy

2-cyclohexenecarbonitrile    521 2-Cyclohexenecarbonitrile

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    #  Species Formula
   511 2-MethylpiperidineC6H13N
   512 CyclohexamethylenimineC6H13N
   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-Cyclohexenecarbonitrile C7H9N
   522 BenzylamineC7H9N
   523 m-ToluidineC7H9N
   524 N-MethylanilineC7H9N
   525 o-ToluidineC7H9N
   526 p-ToluidineC7H9N
   527 CyanocyclohexaneC7H11N
   528 CyclohexanecarbonitrileC7H11N
   529 Hexahydro-1H-pyrrolizineC7H13N
   530 n-HeptanenitrileC7H13N
   531 IsopropylbutylamineC7H17N


DHf: 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