PM7 Accuracy

4,4'-dimethylbiphenyl    343 4,4'-Dimethylbiphenyl

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    #  Species Formula
   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 StilbeneC14H12
   342 1,2,3,4-TetrahydrophenanthreneC14H14
   343 4,4'-Dimethylbiphenyl C14H14
   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


DHf: 26.6 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
4,4'-Dimethylbiphenyl
 H=26.6 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39626484  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39216699  1  120.1669850  1    0.0000000  0     2     1     0
  C     1.39645959  1  120.1211580  1    0.2268194  1     3     2     1
  C     1.39778854  1  119.7601081  1   -0.0074622  1     4     3     2
  C     1.39062277  1  120.0798190  1   -0.2260471  1     5     4     3
  H     2.14970495  1  130.1838694  1 -146.8952541  1     1     2     3
  H     1.77037321  1   65.7271949  1 -114.5612101  1     7     1     2
  C     1.46715775  1  120.1517219  1  179.9825805  1     4     3     5
  C     1.39657930  1  120.1711225  1 -119.9765911  1     9     4     3
  C     1.39216307  1  120.1102432  1  179.9061556  1    10     9     4
  C     1.39629253  1  120.1860736  1    0.2176061  1    11    10     9
  C     1.39814778  1  119.6469166  1   -0.1241577  1    12    11    10
  C     1.39065375  1  120.2166646  1   -0.1129756  1    13    12    11
  C     1.10006828  1   40.2822266  1   33.5568939  1     7     1     8
  H     1.08739770  1  120.0917747  1 -179.9981721  1     2     1     3
  H     1.08890963  1  120.0866267  1  179.6720182  1     3     2     4
  H     1.08886638  1  119.7387179  1 -179.6191501  1     5     4     6
  H     1.08743555  1  119.8990238  1 -179.7531747  1     6     5     4
  H     1.09783835  1  107.0015149  1  123.6590770  1    15     7     1
  H     2.15030259  1  130.6730619  1 -146.8732372  1    12    11    13
  H     1.77055074  1   65.7054323  1 -113.5664241  1    21    12    11
  H     1.76630621  1   59.9315372  1   75.7164172  1    22    21    12
  H     1.08884861  1  119.7816967  1 -179.6716429  1    10     9    11
  H     1.08746387  1  119.7149677  1 -179.9841550  1    11    10    12
  C     1.09782390  1   36.5535232  1  -38.6348560  1    23    22    21
  H     1.08744348  1  119.8745593  1  179.9769773  1    13    12    14
  H     1.08886426  1  120.1779743  1  179.8584528  1    14    13    12