PM7 Accuracy

4-methyl-quinoline    559 4-Methyl-quinoline

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    #  Species Formula
   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
   558 2-Methyl-quinolineC10H9N
   559 4-Methyl-quinoline C10H9N
   560 6-Methyl-quinolineC10H9N
   561 8-Methyl-quinolineC10H9N
   562 2,4,6-Trimethyl-benzonitrileC10H11N
   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


DHf: 38.7 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
4-Methyl-quinoline
 H=38.74 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.36922287  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.41794326  1  120.4225203  1    0.0000000  0     2     1     0
  C     1.37145187  1  120.6385988  1    0.0185931  1     3     2     1
  C     1.41937455  1  120.6094933  1    0.0294839  1     4     3     2
  C     1.41827763  1  118.4929111  1   -0.0005283  1     5     4     3
  N     1.37683001  1  122.1754378  1  179.9911574  1     6     5     4
  C     1.31989435  1  118.5529557  1   -0.0133361  1     7     6     5
  C     1.42467438  1  123.1696224  1   -0.0081481  1     8     7     6
  C     1.37427533  1  119.3045901  1   -0.0144517  1     9     8     7
  H     1.09789986  1  116.5659339  1  179.9995410  1     8     7     9
  H     1.09100639  1  122.1947286  1  179.9894485  1     1     2     3
  H     1.08958172  1  120.7522867  1 -179.9926039  1     2     1     3
  H     1.08890450  1  118.7093280  1 -179.9987364  1     3     2     4
  H     1.08913655  1  120.4010878  1 -179.9988651  1     4     3     5
  H     1.08544259  1  118.9685880  1  179.9961064  1     9     8    10
  C     1.48867354  1  120.7341302  1  179.9753235  1    10     9     8
  H     1.10143905  1  111.3850283  1 -119.8068333  1    17    10     9
  H     1.10144148  1  111.4096095  1 -119.8992059  1    17    10    18
  H     1.09957216  1  112.7266560  1 -120.0508398  1    17    10    19