Accuracy

2,5-diphenyl-1,5-hexadiene    379 2,5-Diphenyl-1,5-hexadiene

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    #  Species Formula
   369 [2.2]ParacyclophaneC16H16
   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-hexadiene C18H18
   380 3,4,5,6-TetramethylphenanthreneC18H18
   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


ΔHf: 68.0 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
2,5-Diphenyl-1,5-hexadiene
 H=68 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39229583 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39421056 +1  120.0660478 +1    0.0000000 +0     2     1     0
  C     1.39360883 +1  119.9956150 +1    1.0310840 +1     3     2     1
  C     1.39308044 +1  120.1286521 +1   -0.4108631 +1     4     3     2
  C     1.39615286 +1  119.8464696 +1   -0.5764758 +1     5     4     3
  C     1.47232281 +1  120.1233958 +1 -177.9222789 +1     6     5     4
  C     1.49986751 +1  114.8506823 +1  104.2941190 +1     7     6     5
  C     1.54283800 +1  110.4148730 +1  -79.0624206 +1     8     7     6
  C     1.49972770 +1  110.5237829 +1  133.7528954 +1     9     8     7
  C     1.47227912 +1  115.0406012 +1  -74.5934783 +1    10     9     8
  C     1.39676017 +1  119.9839176 +1  -71.0526153 +1    11    10     9
  C     1.39632924 +1  119.9826642 +1  179.0709344 +1    11    10    12
  C     1.39288676 +1  119.8825142 +1 -178.4615062 +1    13    11    10
  C     1.39358890 +1  120.1083673 +1   -0.3923886 +1    14    13    11
  C     1.39404980 +1  119.9862324 +1   -0.1038381 +1    15    14    13
  C     1.33426795 +1  122.0550420 +1 -179.9005915 +1     7     6     8
  C     1.33439186 +1  123.0512423 +1  179.8453427 +1    10     9    11
  H     1.08783443 +1  120.1960747 +1  179.3008201 +1     1     2     3
  H     1.08790698 +1  119.9172842 +1 -179.3851743 +1     2     1     3
  H     1.08733276 +1  119.9796071 +1  179.8925131 +1     3     2     4
  H     1.08797697 +1  120.0077584 +1 -179.8948773 +1     4     3     5
  H     1.08769234 +1  120.2280198 +1 -179.7607322 +1     5     4     6
  H     1.10701914 +1  111.2943619 +1 -122.3241747 +1     8     7     9
  H     1.11132918 +1  109.7346379 +1 -115.9611675 +1     8     7    24
  H     1.10707274 +1  109.8334199 +1  123.2619410 +1     9     8    10
  H     1.11130537 +1  110.2192417 +1  115.4119320 +1     9     8    26
  H     1.08772261 +1  119.9277740 +1   -1.1759858 +1    12    11    10
  H     1.08778240 +1  119.9008503 +1  179.8173277 +1    13    11    14
  H     1.08794664 +1  119.8829406 +1  179.8572617 +1    14    13    15
  H     1.08732528 +1  120.0217113 +1  179.8632295 +1    15    14    16
  H     1.08802216 +1  119.9943420 +1 -179.9252895 +1    16    15    14
  H     1.07889132 +1  123.2862309 +1    0.0917031 +1    17     7     6
  H     1.07741522 +1  123.7906230 +1 -179.8124466 +1    17     7    33
  H     1.07888517 +1  123.2798797 +1 -179.9764537 +1    18    10     9
  H     1.07737952 +1  123.8290388 +1 -179.7968906 +1    18    10    35