PM7 Accuracy

decahydro trans-quinoline    556 Decahydro trans-quinoline

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    #  Species Formula
   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-toluidineC9H13N
   555 cis-3,7a-H-cis-5,8-H-3,5-DimethylpyrrolizidineC9H17N
   556 Decahydro trans-quinoline C9H17N
   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
   565 n-Nonyl cyanideC10H19N
   566 2,6-Dimethyl quinolineC11H11N


DHf: -27.0 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
Decahydro trans-quinoline
 H=-26.99 HR=NIST
  C    -0.00318068  1  -0.01339720  1   0.00002582  1
  C     0.27151861  1   1.33543060  1  -0.72040578  1
  C     1.63848622  1   1.89573251  1  -0.28204251  1
  C     2.74330153  1   0.88807136  1  -0.61598493  1
  C     2.47227698  1  -0.46312635  1   0.05929731  1
  C     1.10261289  1  -1.01591699  1  -0.35686998  1
  C    -1.38201194  1  -0.54529161  1  -0.42006651  1
  C    -2.46559825  1   0.49980986  1  -0.12727180  1
  C    -2.11073216  1   1.83709371  1  -0.80837945  1
  N    -0.77458126  1   2.34442348  1  -0.43554987  1
  H     0.00116306  1   0.15640954  1   1.10078865  1
  H     0.27753590  1   1.16854283  1  -1.82729018  1
  H     1.63691386  1   2.12164711  1   0.79860799  1
  H     1.82242527  1   2.85957063  1  -0.79408096  1
  H     3.72462176  1   1.28242030  1  -0.29377343  1
  H     2.81383669  1   0.75505863  1  -1.71182424  1
  H     2.51306838  1  -0.34992489  1   1.15856426  1
  H     3.26740117  1  -1.18447861  1  -0.20418558  1
  H     0.91549054  1  -1.98337296  1   0.14338421  1
  H     1.09210679  1  -1.22663976  1  -1.44223172  1
  H    -1.60576075  1  -1.48635348  1   0.11334375  1
  H    -1.38007172  1  -0.79782776  1  -1.49674113  1
  H    -2.56979627  1   0.64464835  1   0.96260049  1
  H    -3.44801865  1   0.14339461  1  -0.48325482  1
  H    -2.86161350  1   2.61451750  1  -0.55422858  1
  H    -2.13579773  1   1.72179890  1  -1.91413848  1
  H    -0.75466109  1   2.61993964  1   0.54470846  1