Accuracy

n-dodecylcyclopentane    375 n-Dodecylcyclopentane

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    #  Species Formula
   365 4,5,9,10-TetrahydropyreneC16H14
   366 9,10-DimethylphenanthreneC16H14
   367 (2.2)MetaparacyclophaneC16H16
   368 [2.2]MetacyclophaneC16H16
   369 [2.2]ParacyclophaneC16H16
   370 1,2,3,6,7,8-HexahydropyreneC16H18
   371 Tricyclo[8.2.2.2]-hexadecaneC16H28
   372 1-HexadeceneC16H32
   373 DecylcyclohexaneC16H32
   374 n-UndecylcyclopentaneC16H32
   375 n-Dodecylcyclopentane C17H34
   376 UndecylcyclohexaneC17H34
   377 HeptadecaneC17H36
   378 p-TerphenylC18H14
   379 2,5-Diphenyl-1,5-hexadieneC18H18
   380 3,4,5,6-TetramethylphenanthreneC18H18
   381 [3.3]ParacyclophaneC18H20
   382 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   383 DodecylcyclohexaneC18H36
   384 n-TridecylcyclopentaneC18H36
   385 1,1,2,2-Tetra-t-butylethaneC18H38


ΔHf: -79.6 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.
  
 INT PM7
n-Dodecylcyclopentane
 H=-79.63 HR=NIST
  C     0.00000000 +1   0.00000000 +1   0.00000000 +1
  C     1.54169449 +1   0.00000000 +1   0.00000000 +1
  C     1.99752966 +1   1.47092073 +1   0.00000000 +1
  C     0.74347585 +1   2.31608196 +1   0.30909791 +1
  C    -0.44091351 +1   1.46106564 +1  -0.18620630 +1
  C     0.76909751 +1   3.68912684 +1  -0.37191065 +1
  C     1.83464201 +1   4.59970106 +1   0.25168164 +1
  C     1.85775108 +1   5.96425664 +1  -0.44897304 +1
  C     2.93265845 +1   6.86996776 +1   0.16591962 +1
  C     2.95875649 +1   8.23352361 +1  -0.53646620 +1
  C     4.03948749 +1   9.13659956 +1   0.07192897 +1
  C     4.06998463 +1  10.49728324 +1  -0.63601688 +1
  C     5.15140972 +1  11.40038403 +1  -0.02872592 +1
  C     5.18767343 +1  12.75756610 +1  -0.74314339 +1
  C     6.26930462 +1  13.66083630 +1  -0.13690634 +1
  C     6.31056669 +1  15.01707164 +1  -0.85429495 +1
  H    -0.40191716 +1  -0.64339617 +1  -0.79747602 +1
  H    -0.38710350 +1  -0.40573631 +1   0.94931643 +1
  H     1.93642708 +1  -0.53176089 +1  -0.88017130 +1
  H     1.93133576 +1  -0.53333240 +1   0.88177321 +1
  H     2.42088672 +1   1.74487896 +1  -0.98073972 +1
  H     2.79155830 +1   1.64954704 +1   0.74009002 +1
  H     0.65904825 +1   2.45381209 +1   1.41088389 +1
  H    -1.36226224 +1   1.68649096 +1   0.37005650 +1
  H    -0.65738481 +1   1.66748878 +1  -1.24772612 +1
  H    -0.22644231 +1   4.16452549 +1  -0.28601554 +1
  H     0.95507304 +1   3.57431485 +1  -1.45603761 +1
  H     1.63688492 +1   4.73037914 +1   1.33171881 +1
  H     2.82909193 +1   4.12089406 +1   0.18061820 +1
  H     0.86590146 +1   6.44679928 +1  -0.37109299 +1
  H     2.04782713 +1   5.83148824 +1  -1.53025254 +1
  H     2.74213638 +1   7.00416606 +1   1.24687129 +1
  H     3.92406986 +1   6.38589968 +1   0.08950351 +1
  H     1.96915942 +1   8.72029437 +1  -0.45525691 +1
  H     3.14332382 +1   8.09861038 +1  -1.61845017 +1
  H     3.85217135 +1   9.27601548 +1   1.15280911 +1
  H     5.02847457 +1   8.64780444 +1  -0.00489669 +1
  H     3.08125850 +1  10.98650771 +1  -0.55890299 +1
  H     4.25681944 +1  10.35744553 +1  -1.71698187 +1
  H     4.96123557 +1  11.54576147 +1   1.05087330 +1
  H     6.13937275 +1  10.90873415 +1  -0.10015834 +1
  H     4.19986522 +1  13.24947164 +1  -0.67152716 +1
  H     5.37747068 +1  12.61197601 +1  -1.82280343 +1
  H     6.07831018 +1  13.81020084 +1   0.94188345 +1
  H     7.25687595 +1  13.16814140 +1  -0.20455884 +1
  H     5.32288553 +1  15.51076910 +1  -0.78635974 +1
  H     6.50199416 +1  14.86822572 +1  -1.93366611 +1
  C     7.38795747 +1  15.91947513 +1  -0.25240667 +1
  H     8.38218867 +1  15.46690402 +1  -0.33680399 +1
  H     7.20191833 +1  16.11117386 +1   0.81018154 +1
  H     7.42305561 +1  16.88911232 +1  -0.76099811 +1