PM7 Accuracy

stilbene    341 Stilbene

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    #  Species Formula
   331 FluoreneC13H10
   332 o-Methyl bipheny (Torsion angle) (Geo)C13H12
   333 Tri-t-butylmethaneC13H28
   334 TridecaneC13H28
   335 AnthraceneC14H10
   336 DiphenylethyneC14H10
   337 PhenanthreneC14H10
   338 9,10-Dihydro-phenanthreneC14H12
   339 9-Methyl-9H-fluoreneC14H12
   340 OctaleneC14H12
   341 Stilbene C14H12
   342 1,2,3,4-TetrahydrophenanthreneC14H14
   343 4,4'-DimethylbiphenylC14H14
   344 BibenzylC14H14
   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


DHf: 53.4 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
Stilbene
 H=53.36 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39106109  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39454760  1  120.1137091  1    0.0000000  0     2     1     0
  C     1.39302130  1  119.7406245  1    0.0108337  1     3     2     1
  C     1.39273130  1  120.2511094  1    0.0038846  1     4     3     2
  C     1.40287455  1  120.5359482  1   -0.0215727  1     1     2     3
  C     1.45955610  1  118.5322707  1 -179.9751547  1     6     1     2
  C     1.34395255  1  124.7529059  1 -179.9683919  1     7     6     1
  C     1.45965372  1  124.6731290  1 -179.9826619  1     8     7     6
  C     1.39956698  1  122.4548886  1   -0.0887764  1     9     8     7
  C     1.39281746  1  120.4528169  1  179.9862231  1    10     9     8
  C     1.39302879  1  120.2322780  1   -0.0068788  1    11    10     9
  C     1.39443388  1  119.7316528  1    0.0101853  1    12    11    10
  C     1.40285013  1  118.6132811  1  179.9037565  1     9     8     7
  H     1.08864742  1  119.6223113  1  179.9945719  1     1     2     3
  H     1.08827408  1  119.9551715  1  179.9920128  1     2     1     6
  H     1.08755451  1  120.1035633  1 -179.9961330  1     3     2     1
  H     1.08841731  1  119.9186005  1  179.9987246  1     4     3     2
  H     1.08860594  1  119.4016294  1  179.9934237  1     5     4     3
  H     1.09438709  1  114.6458331  1    0.0508680  1     7     6     1
  H     1.09427512  1  120.6347704  1    0.0131094  1     8     7     6
  H     1.08869232  1  120.1835597  1   -0.0144422  1    10     9     8
  H     1.08836127  1  119.8253705  1  179.9955599  1    11    10     9
  H     1.08755953  1  120.1706339  1 -179.9893126  1    12    11    10
  H     1.08828796  1  119.8898523  1 -179.9971635  1    13    12    11
  H     1.08864583  1  119.8601041  1    0.0148038  1    14     9     8