PM7 Accuracy

9,10-dimethylphenanthrene    368 9,10-Dimethylphenanthrene

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    #  Species Formula
   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
   368 9,10-Dimethylphenanthrene C16H14
   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
   375 DecylcyclohexaneC16H32
   376 n-UndecylcyclopentaneC16H32
   377 n-DodecylcyclopentaneC17H34
   378 UndecylcyclohexaneC17H34


DHf: 40.0 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
9,10-Dimethylphenanthrene
 H=40 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37861224  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40477843  1  119.8151186  1    0.0000000  0     2     1     0
  C     1.37872125  1  119.9135700  1   -0.2948546  1     3     2     1
  C     1.41415174  1  121.1727692  1    0.2169730  1     4     3     2
  C     1.41286991  1  121.1255016  1   -0.1172456  1     1     2     3
  C     1.44708169  1  121.3303530  1 -179.0936835  1     6     1     2
  C     1.40779618  1  119.5326792  1  179.9055787  1     7     6     1
  C     1.44757670  1  119.9331468  1    0.6146705  1     8     7     6
  C     1.36429520  1  120.5256021  1   -0.7232868  1     9     8     7
  C     1.41415087  1  118.8444358  1 -179.9067982  1     8     7     9
  C     1.37872363  1  121.1526672  1   -0.2209127  1    11     8     7
  C     1.40471277  1  119.9425700  1   -0.0578608  1    12    11     8
  C     1.41285365  1  121.3327756  1 -179.6976095  1     7     6     8
  H     1.08984901  1  119.3447796  1 -179.8766793  1     1     2     6
  H     1.08778034  1  120.5394412  1  179.9839321  1     2     1     3
  H     1.08769044  1  119.5710112  1 -179.9312974  1     3     2     4
  H     1.08869204  1  119.1320322  1  179.9157978  1     4     3     5
  C     1.49465185  1  116.9857449  1  179.9640534  1     9     8    10
  C     1.49477875  1  122.4691619  1  179.9886447  1    10     9     8
  H     1.08862399  1  119.7087055  1  179.9254489  1    11     8    12
  H     1.08778176  1  120.5081176  1  179.9315004  1    12    11    13
  H     1.08767365  1  119.6119728  1 -179.9318634  1    13    12    11
  H     1.08987223  1  119.5542112  1   -0.5042803  1    14     7     6
  H     1.10050641  1  111.0479589  1   61.7309721  1    19     9     8
  H     1.10041558  1  111.1331804  1 -120.3951093  1    19     9    25
  H     1.09866354  1  113.5410225  1 -119.7630473  1    19     9    26
  H     1.10053936  1  111.0506695  1  118.4477308  1    20    10     9
  H     1.10045839  1  111.1159894  1  120.4087024  1    20    10    28
  H     1.09863221  1  113.5450152  1  119.7620711  1    20    10    29