Accuracy

bibenzyl    342 Bibenzyl

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    #  Species Formula
   332 TridecaneC13H28
   333 AnthraceneC14H10
   334 DiphenylethyneC14H10
   335 PhenanthreneC14H10
   336 9,10-Dihydro-phenanthreneC14H12
   337 9-Methyl-9H-fluoreneC14H12
   338 OctaleneC14H12
   339 StilbeneC14H12
   340 1,2,3,4-TetrahydrophenanthreneC14H14
   341 4,4'-DimethylbiphenylC14H14
   342 Bibenzyl C14H14
   343 o,o'-Dimethyl biphenyl, for torsion (Torsion angle) (Geo)C14H14
   344 1,4,5,8-TetramethynaphthaleneC14H16
   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


ΔHf: 32.4 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
Bibenzyl
 H=32.41 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39397648 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39280068 +1  120.1180658 +1    0.0000000 +0     2     1     0
  C     1.39678852 +1  120.0486374 +1    0.1270928 +1     3     2     1
  C     1.39647461 +1  119.7711614 +1   -0.0551522 +1     4     3     2
  C     1.39294930 +1  120.0443434 +1   -0.0370527 +1     5     4     3
  C     1.49720124 +1  120.0643386 +1  179.2753747 +1     4     3     5
  C     1.54008572 +1  109.7643391 +1  -85.4452011 +1     7     4     3
  C     1.49703004 +1  109.7103846 +1 -178.6369251 +1     8     7     4
  C     1.39675177 +1  120.0813465 +1  -85.6281137 +1     9     8     7
  C     1.39271202 +1  120.0454310 +1  179.3351643 +1    10     9     8
  C     1.39390611 +1  120.1309562 +1   -0.0528089 +1    11    10     9
  C     1.39380366 +1  119.8696527 +1   -0.0482351 +1    12    11    10
  C     1.39292582 +1  120.1467157 +1    0.0704134 +1    13    12    11
  H     1.08726411 +1  120.0552181 +1  179.8772395 +1     1     2     3
  H     1.08805969 +1  119.9408765 +1 -179.9092181 +1     2     1     3
  H     1.08765198 +1  119.9690661 +1  179.9324762 +1     3     2     4
  H     1.08769138 +1  120.0207365 +1  179.9582770 +1     5     4     6
  H     1.08812317 +1  119.9284257 +1 -179.9197159 +1     6     5     4
  H     1.10902895 +1  111.0410776 +1  121.8327374 +1     7     4     8
  H     1.10915161 +1  111.2164347 +1  116.4247582 +1     7     4    20
  H     1.10901701 +1  109.7802213 +1  122.6045607 +1     8     7     9
  H     1.10909109 +1  109.9017831 +1  114.9632677 +1     8     7    22
  H     1.08764748 +1  119.9702005 +1  179.9782272 +1    10     9    11
  H     1.08806562 +1  119.9316883 +1  179.9825999 +1    11    10    12
  H     1.08728605 +1  120.0634760 +1 -179.9918093 +1    12    11    13
  H     1.08808722 +1  119.9435921 +1  179.9432401 +1    13    12    14
  H     1.08771630 +1  119.9396309 +1 -179.9770275 +1    14    13    12