PM7 Accuracy

   579 Benzo[f]quinoline

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    #  Species Formula
   569 1-Adamantyl isocyanideC11H15N
   570 2-Methyl-6-t-butylanilineC11H17N
   571 n-UndecanenitrileC11H21N
   572 CarbazoleC12H9N
   573 2-BiphenylamineC12H11N
   574 BiphenylamineC12H11N
   575 2-n-Butyl-2-methylhexanenitrileC12H23N
   576 6,7-BenzoquinolineC13H9N
   577 a-BenzoquinolineC13H9N
   578 AcridineC13H9N
   579 Benzo[f]quinoline C13H9N
   580 PhenanthridineC13H9N
   581 N-MethylcarbazoleC13H11N
   582 1,2,3,4-Tetrahydro-N-methylcarbazoleC13H15N
   583 9-Ethyl-9H-carbazoleC14H13N
   584 TetradecanenitrileC14H27N
   585 DioctylamineC16H35N
   586 TriphenylamineC18H15N
   587 TrioctylamineC24H51N
   588 Nitrogen (Geo)N2
   589 NitrogenN2



DHf: 55.9 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.

  

Benzo[f]quinoline
 H=55.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0                     0.0000
  C     1.38189455  1    0.0000000  0    0.0000000  0     1     0     0   0.0000
  C     1.41450035  1  120.2942417  1    0.0000000  0     2     1     0   0.0000
  C     1.38150616  1  120.0471487  1   -0.0241278  1     3     2     1   0.0000
  C     1.42049587  1  120.4847800  1    0.0016606  1     4     3     2   0.0000
  C     1.41623798  1  119.5753643  1    0.0014583  1     5     4     3   0.0000
  C     1.45439678  1  119.1143352  1  179.9719148  1     6     5     4   0.0000
  C     1.42118328  1  119.1989342  1    0.0247163  1     7     6     5   0.0000
  C     1.45091253  1  120.2602433  1   -0.0052340  1     8     7     6   0.0000
  C     1.35579502  1  120.1249002  1   -0.0101573  1     9     8     7   0.0000
  N     1.38054814  1  122.3426163  1  179.9988374  1     8     7     9   0.0000
  C     1.33907146  1  118.3940494  1    0.0000714  1    11     8     7   0.0000
  C     1.42245859  1  122.8774276  1   -0.0032775  1    12    11     8   0.0000
  C     1.38108094  1  118.8380739  1   -0.0034337  1    13    12    11   0.0000
  H     1.08938155  1  120.0744960  1  179.9986046  1     1     2     3   0.0000
  H     1.08845193  1  120.4484761  1 -179.9982200  1     2     1     3   0.0000
  H     1.08813873  1  119.3230659  1 -179.9940599  1     3     2     4   0.0000
  H     1.08879468  1  120.4333181  1  179.9986869  1     4     3     5   0.0000
  H     1.09132453  1  117.3384643  1 -179.9980890  1     9     8    10   0.0000
  H     1.09015020  1  121.0228348  1 -179.9958810  1    10     9     8   0.0000
  H     1.09624166  1  116.6756774  1  179.9973993  1    12    11    13   0.0000
  H     1.08620889  1  119.7629091  1  179.9994866  1    13    12    14   0.0000
  H     1.09089493  1  120.5596075  1 -179.9978463  1    14    13    12   0.0000