PM7 Accuracy

2,6-dimethylbenzonitrile    547 2,6-Dimethylbenzonitrile

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    #  Species Formula
   537 3-Azabicyclo[3.2.2]nonaneC8H15N
   538 n-Heptyl cyanideC8H15N
   539 N-(2-Methylpropylidene)-butylamineC8H17N
   540 2-Methyl-N-(2-methylpropyl)-1-propanamineC8H19N
   541 Di-sec-butylamineC8H19N
   542 DibutylamineC8H19N
   543 N-(2-Methylpropyl)-1-butanamineC8H19N
   544 n-OctylamineC8H19N
   545 IsoquinolineC9H7N
   546 QuinolineC9H7N
   547 2,6-Dimethylbenzonitrile C9H9N
   548 (1a,2a,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   549 (1a,2b,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   550 1,2,3,4-TetrahydroquinolineC9H11N
   551 5,6,7,8-TetrahydroquinolineC9H11N
   552 N,N-Dimethyl m-toluidineC9H13N
   553 N,N-Dimethyl p-toluidineC9H13N
   554 N-Ethyl m-toluidineC9H13N
   555 cis-3,7a-H-cis-5,8-H-3,5-DimethylpyrrolizidineC9H17N
   556 Decahydro trans-quinolineC9H17N
   557 2,2,6,6-Tetramethyl piperidineC9H19N


DHf: 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