PM7 Accuracy

o,o'-Dimethyl biphenyl, for torsion r    345 o,o'-Dimethyl biphenyl, for torsion (Torsion angle) (Geo)

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    #  Species Formula
   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 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
   352 n-NonylcyclopentaneC14H28
   353 OctylcyclohexaneC14H28
   354 3,3,4,4-TetraethylhexaneC14H30
   355 OctamethylhexaneC14H30


REF: 6-31G(d) basis set using the B3LYP Density Functional
  
 PM7
o,o'-Dimethyl biphenyl, for torsion (Torsion angle)
 <> <><> <><><C-C-C-C> GR=B3LYP GWT=10
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39560977  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.46993367  1  119.1322029  1    0.0000000  0     2     1     0
  C     1.40039899  1  121.2096791  1   72.0000010  1     3     2     1
  C     1.39774105  1  119.2352753  1  179.8403157  1     4     3     2
  H     2.15375043  1   92.5844632  1 -179.9491312  1     3     2     4
  C     1.39266986  1  120.1625728  1  179.7666021  1     1     2     3
  C     1.39334325  1  119.8259415  1   -0.0834735  1     7     1     2
  C     1.39289606  1  120.1716569  1   -0.0762950  1     8     7     1
  C     1.40161076  1  120.1552413  1 -179.5626823  1     2     1     3
  H     2.15197122  1  146.4684199  1   -0.1365080  1     5     4     3
  H     2.48274110  1   94.1572188  1 -179.7599353  1     6     3     2
  C     1.49082161  1  121.3164708  1  179.1857393  1     4     3     5
  H     1.08781386  1  119.6846614  1  179.9992760  1     5     4    11
  H     1.08904266  1  119.6310416  1  179.9754628  1     1     2     7
  H     1.08722834  1  119.9885534  1 -179.9842907  1     7     1     8
  H     1.08765187  1  119.7770090  1 -179.8098013  1     9     8     7
  C     1.49032069  1  120.3962016  1  179.4622354  1    10     2     1
  C     1.08789921  1   34.1050588  1    0.1444709  1    11     5     4
  C     1.08723639  1   59.9932580  1   -0.0738813  1    12     6     3
  C     1.08892311  1   34.3323832  1   -0.0367045  1     6     3    12
  H     1.08792648  1  119.9704227  1 -179.9105760  1     8     7     9
  H     1.10062512  1  112.5232260  1   23.7597129  1    13     4     3
  H     1.09801515  1  112.2642389  1  120.8857664  1    13     4    23
  H     1.10118046  1  110.6738152  1  120.0335499  1    13     4    24
  H     1.09692819  1  112.9724937  1  170.4111559  1    18    10     2
  H     1.10152892  1  110.8602731  1  120.6300394  1    18    10    26
  H     1.10151912  1  111.4981380  1  118.4408744  1    18    10    27