PM7 Accuracy

tridecane    334 Tridecane

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    #  Species Formula
   324 Biphenyl, for torsion (Torsion angle) (Geo)C12H10
   325 HexamethylbenzeneC12H18
   326 HexylcyclohexaneC12H24
   327 n-DuodecaneC12H26
   328 Tri-isobutylboraneH27BC12
   329 Tri-s-butylboraneH27BC12
   330 TributylboraneH27BC12
   331 FluoreneC13H10
   332 o-Methyl bipheny (Torsion angle) (Geo)C13H12
   333 Tri-t-butylmethaneC13H28
   334 Tridecane C13H28
   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


DHf: -74.4 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
Tridecane
 H=-74.45 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52881686  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53448726  1  110.9614241  1    0.0000000  0     2     1     0
  C     1.53375924  1  110.7732623  1  179.8752288  1     3     2     1
  C     1.53395696  1  110.7545279  1  179.9381657  1     4     3     2
  C     1.53391686  1  110.6955113  1  179.8614687  1     5     4     3
  C     1.53391223  1  110.7393969  1  179.9235002  1     6     5     4
  C     1.53386559  1  110.7013057  1  179.8667243  1     7     6     5
  C     1.53396210  1  110.7353717  1  179.9281951  1     8     7     6
  C     1.53389925  1  110.7051562  1  179.8616823  1     9     8     7
  C     1.53378793  1  110.7417772  1  179.9456291  1    10     9     8
  H     1.09561611  1  111.4425703  1  -59.9855651  1     1     2     3
  H     1.09560901  1  111.4334416  1  120.1154288  1     1     2    12
  H     1.09545220  1  111.2247569  1  119.9353263  1     1     2    13
  H     1.10628823  1  109.9462032  1  121.9544994  1     2     1     3
  H     1.10638257  1  109.9249170  1  116.1524350  1     2     1    15
  H     1.10568473  1  109.9592681  1  121.9371436  1     3     2     4
  H     1.10581038  1  109.9557375  1  116.1544493  1     3     2    17
  H     1.10585242  1  110.0097543  1 -121.8663852  1     4     3     5
  H     1.10595052  1  109.9990842  1 -116.2808644  1     4     3    19
  H     1.10580106  1  110.0143177  1  121.8685310  1     5     4     6
  H     1.10591376  1  110.0088251  1  116.2956937  1     5     4    21
  H     1.10585718  1  110.0116868  1  121.8903257  1     6     5     7
  H     1.10596071  1  109.9926502  1  116.2838467  1     6     5    23
  H     1.10581083  1  110.0222269  1  121.8654918  1     7     6     8
  H     1.10593621  1  110.0192531  1  116.3025130  1     7     6    25
  H     1.10585038  1  110.0222163  1  121.8847266  1     8     7     9
  H     1.10595702  1  110.0038031  1  116.2956067  1     8     7    27
  H     1.10581247  1  110.0304863  1  121.8616863  1     9     8    10
  H     1.10593242  1  110.0275348  1  116.3158129  1     9     8    29
  H     1.10583570  1  110.0146666  1  121.8897902  1    10     9    11
  H     1.10593183  1  109.9962667  1  116.2846331  1    10     9    31
  H     1.10576910  1  110.0643521  1  -58.1969894  1    11    10     9
  H     1.10574488  1  110.0821943  1  116.2982459  1    11    10    33
  C     1.53451902  1  110.7962934  1  121.8881388  1    11    10    34
  C     1.52866477  1  110.9263252  1  179.9601751  1    35    11    10
  H     1.10626268  1  109.9790728  1 -121.9105019  1    35    11    36
  H     1.10637645  1  109.9686238  1 -116.2044124  1    35    11    37
  H     1.09565017  1  111.4333707  1  -60.2006713  1    36    35    11
  H     1.09566737  1  111.4392227  1  120.1086738  1    36    35    39
  H     1.09550370  1  111.2398399  1  119.9449241  1    36    35    40