PM7 Accuracy

bibenzyl    344 Bibenzyl

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    #  Species Formula
   334 TridecaneC13H28
   335 AnthraceneC14H10
   336 DiphenylethyneC14H10
   337 PhenanthreneC14H10
   338 9,10-Dihydro-phenanthreneC14H12
   339 9-Methyl-9H-fluoreneC14H12
   340 OctaleneC14H12
   341 StilbeneC14H12
   342 1,2,3,4-TetrahydrophenanthreneC14H14
   343 4,4'-DimethylbiphenylC14H14
   344 Bibenzyl C14H14
   345 o,o'-Dimethyl biphenyl, for torsion (Torsion angle) (Geo)C14H14
   346 1,4,5,8-TetramethynaphthaleneC14H16
   347 1,2,3,4,5,6,7,8-Octahydro-anthraceneC14H18
   348 DiadamantaneC14H20
   349 1,3,5,7-TetramethyladamantaneC14H24
   350 (E)-3,4-Di-tert-butyl-3-hexeneC14H28
   351 CyclotetradecaneC14H28
   352 n-NonylcyclopentaneC14H28
   353 OctylcyclohexaneC14H28
   354 3,3,4,4-TetraethylhexaneC14H30


DHf: 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