Accuracy

cyclotetradecane    349 Cyclotetradecane

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    #  Species Formula
   339 StilbeneC14H12
   340 1,2,3,4-TetrahydrophenanthreneC14H14
   341 4,4'-DimethylbiphenylC14H14
   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 Cyclotetradecane C14H28
   350 n-NonylcyclopentaneC14H28
   351 OctylcyclohexaneC14H28
   352 3,3,4,4-TetraethylhexaneC14H30
   353 OctamethylhexaneC14H30
   354 TetradecaneC14H30
   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


ΔHf: -57.2 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.
  
 INT PM7
Cyclotetradecane
 H=-57.18 HR=NIST
  C     0.00000000 +1   0.00000000 +1   0.00000000 +1
  C     1.53588687 +1   0.00000000 +1   0.00000000 +1
  C     2.10749088 +1   1.42307337 +1   0.00000000 +1
  C     3.62369485 +1   1.43843321 +1  -0.26068857 +1
  C     3.97769447 +1   1.43847358 +1  -1.75767264 +1
  C     4.03219249 +1   0.02006278 +1  -2.33780695 +1
  C     4.11865042 +1   0.03180249 +1  -3.87114571 +1
  C     3.57450909 +1  -1.27979789 +1  -4.46001797 +1
  C     2.03828772 +1  -1.28171454 +1  -4.46541032 +1
  C     1.46871750 +1  -2.70532084 +1  -4.46175966 +1
  C    -0.04714815 +1  -2.72221388 +1  -4.19876012 +1
  C    -0.39913118 +1  -2.71927087 +1  -2.70126122 +1
  C    -0.45568837 +1  -1.29989575 +1  -2.12407294 +1
  C    -0.54924600 +1  -1.30862932 +1  -0.59102735 +1
  H    -0.37532402 +1   0.13878882 +1   1.02989586 +1
  H    -0.38904999 +1   0.85983560 +1  -0.57604859 +1
  H     1.90752418 +1  -0.54690369 +1  -0.89231355 +1
  H     1.91586729 +1  -0.56494486 +1   0.86967410 +1
  H     1.89218172 +1   1.90544132 +1   0.97174988 +1
  H     1.59134199 +1   2.03915634 +1  -0.75983859 +1
  H     4.10594741 +1   0.58265305 +1   0.24564376 +1
  H     4.05780196 +1   2.34125882 +1   0.21054855 +1
  H     3.24227962 +1   2.04885883 +1  -2.31500125 +1
  H     4.95365623 +1   1.93615275 +1  -1.90945311 +1
  H     3.12950481 +1  -0.54326543 +1  -2.01926543 +1
  H     4.88829970 +1  -0.53420477 +1  -1.91363122 +1
  H     5.16641626 +1   0.18422740 +1  -4.18725973 +1
  H     3.55606459 +1   0.88807638 +1  -4.28645007 +1
  H     3.96145346 +1  -2.13789960 +1  -3.87994108 +1
  H     3.95386273 +1  -1.42192505 +1  -5.48783597 +1
  H     1.66269041 +1  -0.73151367 +1  -3.57666192 +1
  H     1.66161571 +1  -0.72087765 +1  -5.33893927 +1
  H     1.98691946 +1  -3.31984153 +1  -3.70192943 +1
  H     1.68265965 +1  -3.18918626 +1  -5.43304224 +1
  H    -0.53114327 +1  -1.86821913 +1  -4.70616459 +1
  H    -0.48035339 +1  -3.62666973 +1  -4.66754180 +1
  H     0.33794456 +1  -3.32752280 +1  -2.14369906 +1
  H    -1.37415019 +1  -3.21810969 +1  -2.54761777 +1
  H    -1.31010553 +1  -0.74625242 +1  -2.55255990 +1
  H     0.44792687 +1  -0.73670596 +1  -2.44014804 +1
  H    -1.59941518 +1  -1.45405680 +1  -0.27974549 +1
  H     0.00609173 +1  -2.16791328 +1  -0.17199220 +1