Accuracy

decahydro trans-quinoline    554 Decahydro trans-quinoline

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    #  Species Formula
   544 QuinolineC9H7N
   545 2,6-DimethylbenzonitrileC9H9N
   546 (1a,2a,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   547 (1a,2b,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   548 1,2,3,4-TetrahydroquinolineC9H11N
   549 5,6,7,8-TetrahydroquinolineC9H11N
   550 N,N-Dimethyl m-toluidineC9H13N
   551 N,N-Dimethyl p-toluidineC9H13N
   552 N-Ethyl m-toluidineC9H13N
   553 cis-3,7a-H-cis-5,8-H-3,5-DimethylpyrrolizidineC9H17N
   554 Decahydro trans-quinoline C9H17N
   555 2,2,6,6-Tetramethyl piperidineC9H19N
   556 2-Methyl-quinolineC10H9N
   557 4-Methyl-quinolineC10H9N
   558 6-Methyl-quinolineC10H9N
   559 8-Methyl-quinolineC10H9N
   560 2,4,6-Trimethyl-benzonitrileC10H11N
   561 2,4,6-Trimethylphenyl isocyanideC10H11N
   562 N,N-Diethyl anilineC10H15N
   563 n-Nonyl cyanideC10H19N
   564 2,6-Dimethyl quinolineC11H11N


ΔHf: -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