PM7 Accuracy

n-ethyl m-toluidine    554 N-Ethyl m-toluidine

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    #  Species Formula
   544 n-OctylamineC8H19N
   545 IsoquinolineC9H7N
   546 QuinolineC9H7N
   547 2,6-DimethylbenzonitrileC9H9N
   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-toluidine C9H13N
   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 isocyanideC10H11N
   564 N,N-Diethyl anilineC10H15N


DHf: 7.3 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
N-Ethyl m-toluidine
 H=7.29 HR=NIST
  C    -0.06882963  1  -0.04245792  1  -0.26143857  1
  C     0.51909512  1   1.21482774  1  -0.04843738  1
  C     1.86659670  1   1.29975747  1   0.30044806  1
  C     2.62978387  1   0.14099352  1   0.45687656  1
  C     2.04329483  1  -1.10606164  1   0.24985091  1
  C     0.70608595  1  -1.21159847  1  -0.10496172  1
  N    -1.38643863  1  -0.18563379  1  -0.72137186  1
  C    -2.37624253  1   0.85943168  1  -0.42297436  1
  C    -2.76185552  1   0.91301115  1   1.05985496  1
  C     2.49083840  1   2.64049084  1   0.50749044  1
  H    -0.06370181  1   2.12128236  1  -0.16650594  1
  H     3.67490014  1   0.20881222  1   0.73763214  1
  H     2.64182511  1  -2.00942575  1   0.36985301  1
  H     0.26079874  1  -2.18685133  1  -0.26803046  1
  H    -1.76635275  1  -1.12454945  1  -0.64964666  1
  H    -1.98352228  1   1.84467389  1  -0.75969652  1
  H    -3.27473419  1   0.65433552  1  -1.05003958  1
  H    -3.23078677  1  -0.01910476  1   1.39216744  1
  H    -1.87970845  1   1.07822578  1   1.69198479  1
  H    -3.46607431  1   1.72761183  1   1.25736249  1
  H     2.37018113  1   3.27807133  1  -0.38058106  1
  H     2.02981775  1   3.16791800  1   1.35495126  1
  H     3.56784508  1   2.57687353  1   0.71409378  1