Accuracy

3,4,5,6-tetramethylphenanthrene    380 3,4,5,6-Tetramethylphenanthrene

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    #  Species Formula
   370 1,2,3,6,7,8-HexahydropyreneC16H18
   371 Tricyclo[8.2.2.2]-hexadecaneC16H28
   372 1-HexadeceneC16H32
   373 DecylcyclohexaneC16H32
   374 n-UndecylcyclopentaneC16H32
   375 n-DodecylcyclopentaneC17H34
   376 UndecylcyclohexaneC17H34
   377 HeptadecaneC17H36
   378 p-TerphenylC18H14
   379 2,5-Diphenyl-1,5-hexadieneC18H18
   380 3,4,5,6-Tetramethylphenanthrene C18H18
   381 [3.3]ParacyclophaneC18H20
   382 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   383 DodecylcyclohexaneC18H36
   384 n-TridecylcyclopentaneC18H36
   385 1,1,2,2-Tetra-t-butylethaneC18H38
   386 OctadecaneC18H38
   387 TriphenylboraneH15BC18
   388 TricyclohexylboraneH33BC18
   389 Tri-n-hexylboraneH39BC18
   390 2,6-Diphenyl-1,6-heptadieneC19H20


ΔHf: 38.3 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
3,4,5,6-Tetramethylphenanthrene
 H=38.3 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.40824165 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.41097030 +1  119.9865206 +1    0.0000000 +0     2     1     0
  C     1.41647865 +1  117.8916021 +1   16.1106372 +1     3     2     1
  C     1.39287180 +1  119.6586209 +1  -16.1467758 +1     4     3     2
  C     1.37879696 +1  120.0080851 +1   -5.4486287 +1     1     2     3
  C     1.43994883 +1  120.1918988 +1  175.0375432 +1     2     1     3
  C     1.35461871 +1  120.2850038 +1 -173.8694659 +1     7     2     1
  C     1.43993210 +1  120.2882216 +1  -10.7920796 +1     8     7     2
  C     1.41083646 +1  119.6204355 +1    1.1692941 +1     9     8     7
  C     1.41654364 +1  117.8899820 +1 -158.8751511 +1    10     9     8
  C     1.39289246 +1  119.6575792 +1  -16.2067474 +1    11    10     9
  C     1.40652034 +1  120.2489391 +1    5.6474017 +1    12    11    10
  C     1.37876518 +1  119.9724944 +1    5.3871756 +1    13    12    11
  H     1.08768864 +1  119.6247169 +1  177.1239714 +1    13    12    14
  C     1.49292523 +1  121.3543078 +1  173.6633419 +1    11    10    12
  C     1.49300495 +1  121.3612531 +1  173.6934299 +1     4     3     5
  H     1.08769814 +1  120.3525972 +1  177.4110272 +1     6     1     2
  H     1.08773700 +1  119.4151864 +1 -179.3958425 +1     1     2     6
  C     1.49249890 +1  120.9976186 +1 -176.0902879 +1     5     4     3
  H     1.08810776 +1  117.9360380 +1  176.5067438 +1     7     2     8
  H     1.08814112 +1  121.6903269 +1 -176.3677740 +1     8     7     9
  C     1.49254437 +1  120.9990336 +1  178.2479945 +1    12    11    13
  H     1.08775758 +1  120.6012427 +1  173.8928755 +1    14    13    12
  H     1.09809903 +1  112.4687414 +1  118.2363068 +1    16    11    10
  H     1.10004448 +1  112.7007459 +1 -122.0518450 +1    16    11    25
  H     1.10199468 +1  110.3544627 +1 -118.3640031 +1    16    11    26
  H     1.09807021 +1  112.4570374 +1  118.1469910 +1    17     4     3
  H     1.10005539 +1  112.6962349 +1 -122.0514279 +1    17     4    28
  H     1.10197361 +1  110.3614601 +1 -118.3724037 +1    17     4    29
  H     1.09959999 +1  111.6051677 +1   50.7169083 +1    20     5     4
  H     1.10062526 +1  111.1108786 +1 -119.7194611 +1    20     5    31
  H     1.09775420 +1  112.6272643 +1 -120.0129414 +1    20     5    32
  H     1.09778644 +1  112.6117656 +1  170.2148653 +1    23    12    11
  H     1.09958264 +1  111.6391318 +1 -120.2445474 +1    23    12    34
  H     1.10060143 +1  111.0879915 +1 -119.7295469 +1    23    12    35