Accuracy

a-benzoquinoline    575 a-Benzoquinoline

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    #  Species Formula
   565 2,7-Dimethyl quinolineC11H11N
   566 1-Adamantyl cyanideC11H15N
   567 1-Adamantyl isocyanideC11H15N
   568 2-Methyl-6-t-butylanilineC11H17N
   569 n-UndecanenitrileC11H21N
   570 CarbazoleC12H9N
   571 2-BiphenylamineC12H11N
   572 BiphenylamineC12H11N
   573 2-n-Butyl-2-methylhexanenitrileC12H23N
   574 6,7-BenzoquinolineC13H9N
   575 a-Benzoquinoline C13H9N
   576 AcridineC13H9N
   577 Benzo[f]quinolineC13H9N
   578 PhenanthridineC13H9N
   579 N-MethylcarbazoleC13H11N
   580 1,2,3,4-Tetrahydro-N-methylcarbazoleC13H15N
   581 9-Ethyl-9H-carbazoleC14H13N
   582 TetradecanenitrileC14H27N
   583 DioctylamineC16H35N
   584 TriphenylamineC18H15N
   585 TrioctylamineC24H51N


ΔHf: 59.9 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
a-Benzoquinoline
 H=59.85 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.37953530 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40729408 +1  120.1543070 +1    0.0000000 +0     2     1     0
  C     1.37960147 +1  120.3063846 +1    0.0209714 +1     3     2     1
  C     1.41190307 +1  120.3197194 +1   -0.0053118 +1     4     3     2
  C     1.40704208 +1  119.2950497 +1   -0.0053477 +1     5     4     3
  C     1.44961016 +1  118.7798659 +1 -179.9732370 +1     6     5     4
  C     1.41415315 +1  119.8730016 +1   -0.0220558 +1     7     6     5
  C     1.43445153 +1  119.5740387 +1   -0.0023329 +1     8     7     6
  C     1.35663549 +1  120.6633803 +1    0.0052244 +1     9     8     7
  C     1.41166836 +1  118.3096218 +1  179.9978111 +1     8     7     9
  C     1.37815689 +1  119.5375084 +1   -0.0045265 +1    11     8     7
  C     1.41622213 +1  118.5420060 +1    0.0065555 +1    12    11     8
  N     1.32924838 +1  123.0338976 +1    0.0038008 +1    13    12    11
  H     1.09410670 +1  120.9781854 +1  179.9857387 +1     1     2     3
  H     1.08814627 +1  120.3804708 +1 -179.9914036 +1     2     1     3
  H     1.08863317 +1  119.2991041 +1  179.9916841 +1     3     2     4
  H     1.08812549 +1  120.5065922 +1  179.9993967 +1     4     3     5
  H     1.08967655 +1  117.9595348 +1  179.9967913 +1     9     8    10
  H     1.09000000 +1  121.1700865 +1  179.9940548 +1    10     9     8
  H     1.08976111 +1  119.4670453 +1 -179.9975528 +1    11     8    12
  H     1.08543578 +1  121.6128701 +1 -179.9999954 +1    12    11    13
  H     1.09718588 +1  120.9058113 +1 -179.9996292 +1    13    12    14