PM7 Accuracy

phenanthrene    337 Phenanthrene

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    #  Species Formula
   327 n-DuodecaneC12H26
   328 Tri-isobutylboraneH27BC12
   329 Tri-s-butylboraneH27BC12
   330 TributylboraneH27BC12
   331 FluoreneC13H10
   332 o-Methyl bipheny (Torsion angle) (Geo)C13H12
   333 Tri-t-butylmethaneC13H28
   334 TridecaneC13H28
   335 AnthraceneC14H10
   336 DiphenylethyneC14H10
   337 Phenanthrene C14H10
   338 9,10-Dihydro-phenanthreneC14H12
   339 9-Methyl-9H-fluoreneC14H12
   340 OctaleneC14H12
   341 StilbeneC14H12
   342 1,2,3,4-TetrahydrophenanthreneC14H14
   343 4,4'-DimethylbiphenylC14H14
   344 BibenzylC14H14
   345 o,o'-Dimethyl biphenyl, for torsion (Torsion angle) (Geo)C14H14
   346 1,4,5,8-TetramethynaphthaleneC14H16
   347 1,2,3,4,5,6,7,8-Octahydro-anthraceneC14H18


DHf: 49.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 GEO-OK PM7
Phenanthrene
 H=49.5 HR=C&P1970
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.40855789  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.43804324  1  119.9540581  1    0.0000000  0     2     1     0
  C     1.44780824  1  119.3017327  1    0.0000000  0     1     2     3
  C     1.41249225  1  119.9397919  1  180.0000000  0     2     1     4
  C     1.41261937  1  118.5535654  1    0.0000000  0     1     2     5
  C     1.40852700  1  119.2773709  1    0.0000000  0     4     1     2
  C     1.37932543  1  120.9072164  1    0.0000000  0     6     1     2
  C     1.35536812  1  120.7456645  1    0.0000000  0     3     2     1
  C     1.37838117  1  120.4486919  1    0.0000000  0     5     2     1
  C     1.41264351  1  122.1532513  1    0.0000000  0     4     1     6
  H     1.08952270  1  119.5262259  1    0.0000000  0     6     1     4
  H     1.08931479  1  117.9185999  1    0.0000000  0     3     2     5
  H     1.08867538  1  119.0788960  1    0.0000000  0     5     2     3
  H     1.08840501  1  120.3903415  1    0.0000000  0     8     6    12
  H     1.08795465  1  120.6523828  1    0.0000000  0    10     5    14
  C     1.41245072  1  119.9347176  1    0.0000000  0     7     4    11
  H     1.08936986  1  121.3330736  1    0.0000000  0     9     3    13
  C     1.37843119  1  120.4421618  1 -179.9999980  0    17     7     9
  C     1.40675382  1  119.8806422  1    0.0000000  0    19    17     7
  H     1.08869449  1  119.0759565  1    0.0000000  0    17     7     9
  H     1.08942429  1  119.5287665  1    0.0000000  0    11     4     1
  H     1.08848492  1  167.8176290  1 -179.9999990  0    20    18     9
  H     1.08793443  1  120.6531073  1 -179.9999990  0    19    17     7