PM7 Accuracy

2,4,6-trimethylphenyl isocyanide    563 2,4,6-Trimethylphenyl isocyanide

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    #  Species Formula
   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
   558 2-Methyl-quinolineC10H9N
   559 4-Methyl-quinolineC10H9N
   560 6-Methyl-quinolineC10H9N
   561 8-Methyl-quinolineC10H9N
   562 2,4,6-Trimethyl-benzonitrileC10H11N
   563 2,4,6-Trimethylphenyl isocyanide C10H11N
   564 N,N-Diethyl anilineC10H15N
   565 n-Nonyl cyanideC10H19N
   566 2,6-Dimethyl quinolineC11H11N
   567 2,7-Dimethyl quinolineC11H11N
   568 1-Adamantyl cyanideC11H15N
   569 1-Adamantyl isocyanideC11H15N
   570 2-Methyl-6-t-butylanilineC11H17N
   571 n-UndecanenitrileC11H21N
   572 CarbazoleC12H9N
   573 2-BiphenylamineC12H11N


DHf: 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