PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

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


ΔHf: 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