PM7 Accuracy

1-cyclohexenecarbonitrile    519 1-Cyclohexenecarbonitrile

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    #  Species Formula
   509 2,5-Dimethyl-1H-pyrroleC6H9N
   510 CyclopentanecarbonitrileC6H9N
   511 2-MethylpiperidineC6H13N
   512 CyclohexamethylenimineC6H13N
   513 CyclohexanamineC6H13N
   514 Di-n-propylamineC6H15N
   515 DiiospropylamineC6H15N
   516 TriethylamineC6H15N
   517 Trimethylborane-TrimethylamineH18BC6N
   518 Phenyl cyanideC7H5N
   519 1-Cyclohexenecarbonitrile C7H9N
   520 2,6-DimethylpyridineC7H9N
   521 2-CyclohexenecarbonitrileC7H9N
   522 BenzylamineC7H9N
   523 m-ToluidineC7H9N
   524 N-MethylanilineC7H9N
   525 o-ToluidineC7H9N
   526 p-ToluidineC7H9N
   527 CyanocyclohexaneC7H11N
   528 CyclohexanecarbonitrileC7H11N
   529 Hexahydro-1H-pyrrolizineC7H13N


DHf: 24.3 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
1-Cyclohexenecarbonitrile
 H=24.27 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.49896328  1    0.0000000  0    0.0000000  0     1     0     0
  C     2.51429232  1   86.2161776  1    0.0000000  0     2     1     0
  C     1.53623371  1   91.8376245  1   13.2173573  1     3     2     1
  C     1.34263668  1  123.8757087  1   -7.3629313  1     1     2     3
  C     1.42190493  1  115.1498336  1  179.0978498  1     1     2     5
  N     1.15800271  1  146.1491881  1 -179.8770440  1     6     2     1
  H     1.11176600  1  109.1924149  1  -96.8990667  1     2     1     3
  H     1.10977140  1  110.6768632  1 -115.9107135  1     2     1     8
  H     1.10685587  1   90.2649932  1 -109.9049362  1     3     2     4
  H     1.10505668  1  145.3414553  1 -119.5795380  1     3     2    10
  H     1.10979477  1  109.8012930  1 -138.4512856  1     4     3     2
  H     1.11336298  1  109.7303499  1 -115.2118694  1     4     3    12
  H     1.09111339  1  121.7234071  1  179.5315829  1     5     1     2
  C     1.53177011  1   34.9715143  1   -6.5795150  1     3     2    11
  H     1.10530891  1  110.5719135  1  121.8827615  1    15     3     2
  H     1.10699087  1  110.0402727  1  116.7294089  1    15     3    16