Accuracy

tetradecane    354 Tetradecane

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

   

    #  Species Formula
   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
   352 3,3,4,4-TetraethylhexaneC14H30
   353 OctamethylhexaneC14H30
   354 Tetradecane C14H30
   355 4-MethylphenanthreneC15H12
   356 1-MethyldiadamantaneC15H22
   357 3-MethyladamantaneC15H22
   358 4-MethyldiadamantaneC15H22
   359 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-IndeneC15H22
   360 n-NonylcyclohexaneC15H30
   361 PentadecaneC15H32
   362 FluorantheneC16H10
   363 PyreneC16H10
   364 2,7-DimethylphenanthreneC16H14


ΔHf: -79.4 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
Tetradecane
 H=-79.38 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52889738 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53450666 +1  110.9449414 +1    0.0000000 +0     2     1     0
  C     1.53381032 +1  110.7554706 +1  179.9762638 +1     3     2     1
  C     1.53398985 +1  110.7398040 +1 -179.9743942 +1     4     3     2
  C     1.53396327 +1  110.6774200 +1  179.9604254 +1     5     4     3
  C     1.53395664 +1  110.7231099 +1 -179.9858428 +1     6     5     4
  C     1.53390278 +1  110.6859306 +1  179.9765585 +1     7     6     5
  C     1.53395226 +1  110.7213663 +1 -179.9735326 +1     8     7     6
  C     1.53397485 +1  110.6873945 +1  179.9875603 +1     9     8     7
  C     1.53396199 +1  110.7153853 +1 -179.9467921 +1    10     9     8
  H     1.09560420 +1  111.4404128 +1  -59.9753088 +1     1     2     3
  H     1.09559394 +1  111.4315263 +1  120.1171337 +1     1     2    12
  H     1.09545555 +1  111.2240758 +1  119.9346057 +1     1     2    13
  H     1.10626846 +1  109.9509188 +1  121.9610080 +1     2     1     3
  H     1.10636578 +1  109.9266372 +1  116.1495995 +1     2     1    15
  H     1.10569896 +1  109.9602460 +1  121.9428499 +1     3     2     4
  H     1.10581147 +1  109.9539323 +1  116.1516832 +1     3     2    17
  H     1.10585671 +1  110.0090069 +1 -121.8735165 +1     4     3     5
  H     1.10594289 +1  110.0035845 +1 -116.2797148 +1     4     3    19
  H     1.10580860 +1  110.0143708 +1  121.8725706 +1     5     4     6
  H     1.10591415 +1  110.0072024 +1  116.2910638 +1     5     4    21
  H     1.10585792 +1  110.0158447 +1  121.8947561 +1     6     5     7
  H     1.10595946 +1  109.9922754 +1  116.2824241 +1     6     5    23
  H     1.10581883 +1  110.0211926 +1  121.8703261 +1     7     6     8
  H     1.10593121 +1  110.0159749 +1  116.2975453 +1     7     6    25
  H     1.10585616 +1  110.0236822 +1  121.8943448 +1     8     7     9
  H     1.10595910 +1  110.0011600 +1  116.2824220 +1     8     7    27
  H     1.10581889 +1  110.0246280 +1  121.8654229 +1     9     8    10
  H     1.10593306 +1  110.0185136 +1  116.3094245 +1     9     8    29
  H     1.10584556 +1  110.0358068 +1  121.8871522 +1    10     9    11
  H     1.10594860 +1  110.0094676 +1  116.2969956 +1    10     9    31
  H     1.10588301 +1  110.0052249 +1  -58.0511813 +1    11    10     9
  H     1.10586605 +1  110.0182383 +1  116.2903515 +1    11    10    33
  C     1.53377807 +1  110.7067620 +1  121.8925520 +1    11    10    34
  C     1.53461852 +1  110.7916237 +1 -179.9131381 +1    35    11    10
  H     1.10570855 +1  110.0735736 +1 -121.8768166 +1    35    11    36
  H     1.10582153 +1  110.0663876 +1 -116.2814236 +1    35    11    37
  H     1.10632933 +1  109.9697556 +1  -58.0632371 +1    36    35    11
  H     1.10627078 +1  109.9817435 +1  116.2072012 +1    36    35    39
  C     1.52864135 +1  110.9012483 +1  121.9312622 +1    36    35    40
  H     1.09564872 +1  111.4376193 +1  -59.9690320 +1    41    36    35
  H     1.09563719 +1  111.4298416 +1  120.1078864 +1    41    36    42
  H     1.09552604 +1  111.2426844 +1  119.9392133 +1    41    36    43