PM7 Accuracy

fluoranthene    364 Fluoranthene

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
   354 3,3,4,4-TetraethylhexaneC14H30
   355 OctamethylhexaneC14H30
   356 TetradecaneC14H30
   357 4-MethylphenanthreneC15H12
   358 1-MethyldiadamantaneC15H22
   359 3-MethyladamantaneC15H22
   360 4-MethyldiadamantaneC15H22
   361 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-IndeneC15H22
   362 n-NonylcyclohexaneC15H30
   363 PentadecaneC15H32
   364 Fluoranthene C16H10
   365 PyreneC16H10
   366 2,7-DimethylphenanthreneC16H14
   367 4,5,9,10-TetrahydropyreneC16H14
   368 9,10-DimethylphenanthreneC16H14
   369 (2.2)MetaparacyclophaneC16H16
   370 [2.2]MetacyclophaneC16H16
   371 [2.2]ParacyclophaneC16H16
   372 1,2,3,6,7,8-HexahydropyreneC16H18
   373 Tricyclo[8.2.2.2]-hexadecaneC16H28
   374 1-HexadeceneC16H32


DHf: 69.8 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
Fluoranthene
 H=69.78 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.36592375  1    0.0000000  0    0.0000000  0     1     0     0
  C     2.35819085  1  171.1304078  1    0.0000000  0     1     2     0
  C     1.43645457  1   36.1857853  1    0.4616170  1     3     1     2
  C     1.37805603  1  156.7350015  1   -0.0227329  1     3     1     4
  C     1.40444876  1  118.4212361  1    0.0213669  1     5     3     1
  C     1.42695152  1  118.3356847  1  179.9609185  1     2     1     4
  C     1.37582014  1  122.7609357  1   -0.0213456  1     7     2     1
  C     1.42497016  1  120.2223561  1   -0.0129291  1     8     7     2
  C     1.43310403  1  118.4810001  1    0.0428462  1     1     2     7
  C     1.38866923  1  121.0458220  1    0.0080851  1     6     5     3
  C     1.40441805  1  121.0137063  1   -0.0087994  1    11     6     5
  C     1.46845486  1   72.3618189  1  179.9963929  1     3     1     5
  C     1.36586502  1  135.8625822  1  179.9931320  1    13     3     1
  C     1.42692946  1  118.3463295  1 -179.9871173  1    14    13     3
  C     1.37585707  1  122.7491607  1    0.0144512  1    15    14    13
  H     1.08641591  1  122.1581634  1  179.9888595  1     2     1     7
  H     1.08669501  1  121.1135219  1  179.9972229  1     5     3     6
  H     1.09011592  1  117.4737248  1 -179.9971251  1     7     2     8
  H     1.08744688  1  120.9606684  1 -179.9912116  1     8     7     9
  H     1.08847091  1  119.0838771  1  179.9974525  1     6     5    11
  H     1.08839515  1  119.8780077  1  179.9988154  1    11     6    12
  H     1.08640987  1  122.1500009  1  179.9974494  1    14    13    15
  H     1.09005656  1  117.4853601  1  179.9966107  1    15    14    16
  H     1.08747161  1  120.9417646  1  179.9943833  1    16    15    14
  H     1.08677696  1  120.4576740  1  179.9968410  1    12    11     6