Accuracy

1-cyclohexenecarbonitrile    517 1-Cyclohexenecarbonitrile

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    #  Species Formula
   507 2,5-Dimethyl-1H-pyrroleC6H9N
   508 CyclopentanecarbonitrileC6H9N
   509 2-MethylpiperidineC6H13N
   510 CyclohexamethylenimineC6H13N
   511 CyclohexanamineC6H13N
   512 Di-n-propylamineC6H15N
   513 DiiospropylamineC6H15N
   514 TriethylamineC6H15N
   515 Trimethylborane-TrimethylamineH18BC6N
   516 Phenyl cyanideC7H5N
   517 1-Cyclohexenecarbonitrile C7H9N
   518 2,6-DimethylpyridineC7H9N
   519 2-CyclohexenecarbonitrileC7H9N
   520 BenzylamineC7H9N
   521 m-ToluidineC7H9N
   522 N-MethylanilineC7H9N
   523 o-ToluidineC7H9N
   524 p-ToluidineC7H9N
   525 CyanocyclohexaneC7H11N
   526 CyclohexanecarbonitrileC7H11N
   527 Hexahydro-1H-pyrrolizineC7H13N


ΔHf: 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