Accuracy

4-methylphenanthrene    355 4-Methylphenanthrene

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    #  Species Formula
   345 1,2,3,4,5,6,7,8-Octahydro-anthraceneC14H18
   346 DiadamantaneC14H20
   347 1,3,5,7-TetramethyladamantaneC14H24
   348 (E)-3,4-Di-tert-butyl-3-hexeneC14H28
   349 CyclotetradecaneC14H28
   350 n-NonylcyclopentaneC14H28
   351 OctylcyclohexaneC14H28
   352 3,3,4,4-TetraethylhexaneC14H30
   353 OctamethylhexaneC14H30
   354 TetradecaneC14H30
   355 4-Methylphenanthrene C15H12
   356 1-MethyldiadamantaneC15H22
   357 3-MethyladamantaneC15H22
   358 4-MethyldiadamantaneC15H22
   359 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-IndeneC15H22
   360 n-NonylcyclohexaneC15H30
   361 PentadecaneC15H32
   362 FluorantheneC16H10
   363 PyreneC16H10
   364 2,7-DimethylphenanthreneC16H14
   365 4,5,9,10-TetrahydropyreneC16H14


ΔHf: 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