Accuracy

tridecane    332 Tridecane

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
   322 Biphenyl, for torsion (Torsion angle) (Geo)C12H10
   323 HexamethylbenzeneC12H18
   324 HexylcyclohexaneC12H24
   325 n-DuodecaneC12H26
   326 Tri-isobutylboraneH27BC12
   327 Tri-s-butylboraneH27BC12
   328 TributylboraneH27BC12
   329 FluoreneC13H10
   330 o-Methyl bipheny (Torsion angle) (Geo)C13H12
   331 Tri-t-butylmethaneC13H28
   332 Tridecane C13H28
   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'-DimethylbiphenylC14H14
   342 BibenzylC14H14


ΔHf: -74.5 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