PM7 Accuracy

2,4,6-trimethyl-benzonitrile    562 2,4,6-Trimethyl-benzonitrile

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    #  Species Formula
   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
   558 2-Methyl-quinolineC10H9N
   559 4-Methyl-quinolineC10H9N
   560 6-Methyl-quinolineC10H9N
   561 8-Methyl-quinolineC10H9N
   562 2,4,6-Trimethyl-benzonitrile C10H11N
   563 2,4,6-Trimethylphenyl isocyanideC10H11N
   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


DHf: 25.4 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-Trimethyl-benzonitrile
 H=25.43 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.40288601  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39640854  1  119.3757688  1    0.0000000  0     2     1     0
  C     1.39389602  1  120.5318901  1   -0.0448789  1     3     2     1
  C     1.39866711  1  119.9327472  1   -0.0253518  1     4     3     2
  C     1.39115367  1  120.3468163  1    0.0021465  1     5     4     3
  C     1.48907527  1  120.3928409  1 -179.9632201  1     6     5     4
  C     1.48931033  1  121.7667716  1  179.9883127  1     2     1     3
  C     1.49005403  1  120.5952152  1  179.9863442  1     4     3     5
  C     1.41757494  1  120.5322135  1 -179.9933213  1     1     2     3
  N     1.15879659  1  150.7849016  1  179.9960942  1    10     2     1
  H     1.08771918  1  119.4722338  1 -179.9959932  1     3     2     4
  H     1.08752246  1  119.6415828  1 -179.9883465  1     5     4     6
  H     1.10233278  1  111.4106881  1  120.2902790  1     7     6     5
  H     1.10236809  1  111.4253774  1  118.9767602  1     7     6    14
  H     1.09823733  1  113.0011487  1  120.5234784  1     7     6    15
  H     1.10156355  1  111.1543855  1  120.6328759  1     8     2     1
  H     1.10158700  1  111.1546444  1  119.1847527  1     8     2    17
  H     1.09963087  1  113.8260154  1  120.4195835  1     8     2    18
  H     1.10083755  1  111.2251343  1  120.3942840  1     9     4     3
  H     1.10085915  1  111.2293165  1  119.2220753  1     9     4    20
  H     1.09819867  1  112.9793851  1  120.3923033  1     9     4    21