PM7 Accuracy

2,5-diphenyl-1,5-hexadiene    381 2,5-Diphenyl-1,5-hexadiene

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    #  Species Formula
   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
   379 HeptadecaneC17H36
   380 p-TerphenylC18H14
   381 2,5-Diphenyl-1,5-hexadiene C18H18
   382 3,4,5,6-TetramethylphenanthreneC18H18
   383 [3.3]ParacyclophaneC18H20
   384 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   385 DodecylcyclohexaneC18H36
   386 n-TridecylcyclopentaneC18H36
   387 1,1,2,2-Tetra-t-butylethaneC18H38
   388 OctadecaneC18H38
   389 TriphenylboraneH15BC18
   390 TricyclohexylboraneH33BC18
   391 Tri-n-hexylboraneH39BC18


DHf: 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