Accuracy

2,6-dimethylbenzonitrile    545 2,6-Dimethylbenzonitrile

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    #  Species Formula
   535 3-Azabicyclo[3.2.2]nonaneC8H15N
   536 n-Heptyl cyanideC8H15N
   537 N-(2-Methylpropylidene)-butylamineC8H17N
   538 2-Methyl-N-(2-methylpropyl)-1-propanamineC8H19N
   539 Di-sec-butylamineC8H19N
   540 DibutylamineC8H19N
   541 N-(2-Methylpropyl)-1-butanamineC8H19N
   542 n-OctylamineC8H19N
   543 IsoquinolineC9H7N
   544 QuinolineC9H7N
   545 2,6-Dimethylbenzonitrile C9H9N
   546 (1a,2a,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   547 (1a,2b,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   548 1,2,3,4-TetrahydroquinolineC9H11N
   549 5,6,7,8-TetrahydroquinolineC9H11N
   550 N,N-Dimethyl m-toluidineC9H13N
   551 N,N-Dimethyl p-toluidineC9H13N
   552 N-Ethyl m-toluidineC9H13N
   553 cis-3,7a-H-cis-5,8-H-3,5-DimethylpyrrolizidineC9H17N
   554 Decahydro trans-quinolineC9H17N
   555 2,2,6,6-Tetramethyl piperidineC9H19N


ΔHf: 34.9 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
2,6-Dimethylbenzonitrile
 H=34.94 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.48897474 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39814715 +1  118.9597172 +1    0.0000000 +0     2     1     0
  C     1.39079746 +1  120.3133518 +1  179.9468551 +1     3     2     1
  C     1.39377561 +1  120.4748670 +1   -0.0139151 +1     4     3     2
  C     1.39374323 +1  120.1218684 +1    0.0254112 +1     5     4     3
  C     1.40283176 +1  121.8419158 +1  179.9748788 +1     2     1     3
  C     1.48866371 +1  120.4503372 +1 -179.9912092 +1     6     5     4
  C     1.41899913 +1  120.4168033 +1    0.0336560 +1     7     2     1
  N     1.15857334 +1  150.7486004 +1 -179.9974896 +1     9     2     7
  H     1.10172505 +1  111.2042195 +1  -59.7895360 +1     1     2     3
  H     1.10166787 +1  111.2200081 +1  119.2581353 +1     1     2    11
  H     1.09974691 +1  113.8164886 +1  120.3812563 +1     1     2    12
  H     1.08821562 +1  119.6918239 +1 -179.9941607 +1     3     2     4
  H     1.09057780 +1  119.8100793 +1  179.9982935 +1     4     3     5
  H     1.08807854 +1  119.8244684 +1 -179.9984099 +1     5     4     6
  H     1.10246122 +1  111.4837920 +1  120.4459119 +1     8     6     5
  H     1.10243658 +1  111.4803527 +1  119.0699721 +1     8     6    17
  H     1.09855123 +1  112.9939244 +1  120.4746646 +1     8     6    18