PM7 Accuracy

4-methylphenanthrene    357 4-Methylphenanthrene

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    #  Species Formula
   347 1,2,3,4,5,6,7,8-Octahydro-anthraceneC14H18
   348 DiadamantaneC14H20
   349 1,3,5,7-TetramethyladamantaneC14H24
   350 (E)-3,4-Di-tert-butyl-3-hexeneC14H28
   351 CyclotetradecaneC14H28
   352 n-NonylcyclopentaneC14H28
   353 OctylcyclohexaneC14H28
   354 3,3,4,4-TetraethylhexaneC14H30
   355 OctamethylhexaneC14H30
   356 TetradecaneC14H30
   357 4-Methylphenanthrene C15H12
   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 FluorantheneC16H10
   365 PyreneC16H10
   366 2,7-DimethylphenanthreneC16H14
   367 4,5,9,10-TetrahydropyreneC16H14


DHf: 46.8 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
4-Methylphenanthrene
 H=46.80 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.38762081  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40180457  1  121.1916367  1    0.0000000  0     2     1     0
  C     1.37808577  1  119.4700304  1    3.4605240  1     3     2     1
  C     1.41035211  1  120.0698933  1   -3.4637335  1     4     3     2
  C     1.41247953  1  120.8119002  1   -3.4831254  1     5     4     3
  C     1.45194331  1  117.6656038  1 -171.1617577  1     6     5     4
  C     1.41098787  1  119.2224500  1  -15.6224120  1     7     6     5
  C     1.43782781  1  120.0064654  1    8.9730243  1     8     7     6
  C     1.35359218  1  120.2254329  1    2.2779855  1     9     8     7
  C     1.41126261  1  120.3842458  1  176.4870415  1     8     7     9
  C     1.37884582  1  120.4508591  1   -3.8984793  1    11     8     7
  C     1.40471575  1  119.4639309  1   -2.2331471  1    12    11     8
  C     1.38084512  1  120.3625467  1    3.5006575  1    13    12    11
  C     1.49326500  1  116.6135135  1 -172.7984024  1     1     2     3
  H     1.08872937  1  119.9580259  1  178.8659123  1     2     1     3
  H     1.08801623  1  119.6941994  1  178.2555153  1     3     2     4
  H     1.08790871  1  120.6000743  1  179.6576118  1     4     3     5
  H     1.08891843  1  118.1274446  1  177.6823029  1     9     8    10
  H     1.08939961  1  121.4152358  1  175.4410523  1    10     9     8
  H     1.08866155  1  119.1077647  1 -179.2909906  1    11     8    12
  H     1.08741641  1  120.7957203  1 -178.5032219  1    12    11    13
  H     1.08831492  1  119.4025691  1 -179.3606515  1    13    12    14
  H     1.08808719  1  118.7839954  1 -175.9015997  1    14    13    12
  H     1.10095493  1  112.0879920  1  144.9022136  1    15     1     2
  H     1.10011141  1  111.7121828  1  121.8159483  1    15     1    25
  H     1.10050115  1  111.8217622  1  119.3249265  1    15     1    26