Accuracy

4,4'-dimethylbiphenyl    341 4,4'-Dimethylbiphenyl

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    #  Species Formula
   331 Tri-t-butylmethaneC13H28
   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'-Dimethylbiphenyl C14H14
   342 BibenzylC14H14
   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


ΔHf: 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