Accuracy

2,4,6-trimethylphenyl isocyanide    561 2,4,6-Trimethylphenyl isocyanide

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    #  Species Formula
   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
   556 2-Methyl-quinolineC10H9N
   557 4-Methyl-quinolineC10H9N
   558 6-Methyl-quinolineC10H9N
   559 8-Methyl-quinolineC10H9N
   560 2,4,6-Trimethyl-benzonitrileC10H11N
   561 2,4,6-Trimethylphenyl isocyanide C10H11N
   562 N,N-Diethyl anilineC10H15N
   563 n-Nonyl cyanideC10H19N
   564 2,6-Dimethyl quinolineC11H11N
   565 2,7-Dimethyl quinolineC11H11N
   566 1-Adamantyl cyanideC11H15N
   567 1-Adamantyl isocyanideC11H15N
   568 2-Methyl-6-t-butylanilineC11H17N
   569 n-UndecanenitrileC11H21N
   570 CarbazoleC12H9N
   571 2-BiphenylamineC12H11N


ΔHf: 56.6 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
2,4,6-Trimethylphenyl isocyanide
 H=56.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.40592717 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39641251 +1  118.9813101 +1    0.0000000 +0     2     1     0
  C     1.39267031 +1  120.8448050 +1   -0.0171427 +1     3     2     1
  C     1.39752288 +1  119.8180079 +1    0.0136898 +1     4     3     2
  C     1.39087113 +1  120.6411786 +1   -0.0009916 +1     5     4     3
  C     1.48970424 +1  120.2582383 +1 -179.9812379 +1     6     5     4
  C     1.49010344 +1  122.3664646 +1  179.9868047 +1     2     1     3
  C     1.49115551 +1  120.6488592 +1 -179.9923711 +1     4     3     5
  N     1.38449886 +1  120.3162273 +1 -179.9925208 +1     1     2     3
  C     1.18008527 +1  150.2509043 +1  179.9991699 +1    10     2     1
  H     1.08871622 +1  119.2281386 +1 -179.9927800 +1     3     2     4
  H     1.08847726 +1  119.5879788 +1 -179.9968935 +1     5     4     6
  H     1.10141028 +1  111.2816873 +1  119.8792290 +1     7     6     5
  H     1.10139863 +1  111.3236928 +1  119.1563898 +1     7     6    14
  H     1.09827793 +1  112.7678922 +1  120.4296313 +1     7     6    15
  H     1.10113398 +1  111.0760316 +1  120.5795228 +1     8     2     1
  H     1.10113018 +1  111.0792140 +1  119.3479932 +1     8     2    17
  H     1.09838185 +1  113.5312030 +1  120.3462647 +1     8     2    18
  H     1.10038016 +1  111.1696910 +1  120.2514272 +1     9     4     3
  H     1.10037576 +1  111.1827544 +1  119.4015164 +1     9     4    20
  H     1.09794668 +1  112.8100292 +1  120.3084477 +1     9     4    21