Accuracy

n-undecylcyclopentane    374 n-Undecylcyclopentane

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    #  Species Formula
   364 2,7-DimethylphenanthreneC16H14
   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-Undecylcyclopentane C16H32
   375 n-DodecylcyclopentaneC17H34
   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


ΔHf: -74.7 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-Undecylcyclopentane
 H=-74.7 HR=NIST
  C     0.00000000 +1   0.00000000 +1   0.00000000 +1
  C     1.54177804 +1   0.00000000 +1   0.00000000 +1
  C     1.99780932 +1   1.47102881 +1   0.00000000 +1
  C     0.74410255 +1   2.31623783 +1   0.30956064 +1
  C    -0.44088255 +1   1.46111009 +1  -0.18501382 +1
  C     0.77007945 +1   3.68973590 +1  -0.37005215 +1
  C     1.83369890 +1   4.60025572 +1   0.25655683 +1
  C     1.85913889 +1   5.96455438 +1  -0.44414377 +1
  C     2.92816840 +1   6.87210659 +1   0.17786544 +1
  C     2.95689669 +1   8.23540307 +1  -0.52455616 +1
  C     4.03472426 +1   9.13867519 +1   0.08832130 +1
  C     4.06446947 +1  10.50101863 +1  -0.61623020 +1
  C     5.14424115 +1  11.40363063 +1  -0.00572720 +1
  C     5.17690416 +1  12.76405373 +1  -0.71348604 +1
  C     6.25590761 +1  13.66919070 +1  -0.10375883 +1
  C     6.29233586 +1  15.02488455 +1  -0.80943359 +1
  H    -0.40192296 +1  -0.64318982 +1  -0.79759820 +1
  H    -0.38712676 +1  -0.40598478 +1   0.94913760 +1
  H     1.93653609 +1  -0.53179101 +1  -0.88011170 +1
  H     1.93139228 +1  -0.53335266 +1   0.88175060 +1
  H     2.42065349 +1   1.74514137 +1  -0.98088191 +1
  H     2.79219647 +1   1.64958164 +1   0.73967436 +1
  H     0.65939619 +1   2.45302025 +1   1.41142452 +1
  H    -1.36229987 +1   1.68607053 +1   0.37126832 +1
  H    -0.65706751 +1   1.66838254 +1  -1.24635556 +1
  H    -0.22599622 +1   4.16435391 +1  -0.28579040 +1
  H     0.95808112 +1   3.57609098 +1  -1.45396324 +1
  H     1.63242020 +1   4.73121741 +1   1.33591908 +1
  H     2.82828790 +1   4.12120317 +1   0.18921430 +1
  H     0.86592074 +1   6.44538274 +1  -0.37329523 +1
  H     2.05659875 +1   5.83184819 +1  -1.52410283 +1
  H     2.72994914 +1   7.00632643 +1   1.25741198 +1
  H     3.92079078 +1   6.38939757 +1   0.10880501 +1
  H     1.96679116 +1   8.72187052 +1  -0.44761653 +1
  H     3.14579984 +1   8.10054255 +1  -1.60578336 +1
  H     3.84483040 +1   9.27527841 +1   1.16909991 +1
  H     5.02463699 +1   8.65157565 +1   0.01271025 +1
  H     3.07515182 +1  10.98905034 +1  -0.53896431 +1
  H     4.25223722 +1  10.36428008 +1  -1.69741245 +1
  H     4.95450883 +1  11.54318766 +1   1.07470793 +1
  H     6.13305926 +1  10.91418043 +1  -0.07999807 +1
  H     4.18818117 +1  13.25368167 +1  -0.64044542 +1
  H     5.36699758 +1  12.62535460 +1  -1.79388696 +1
  H     6.06465723 +1  13.81044455 +1   0.97663998 +1
  H     7.24508596 +1  13.17908643 +1  -0.17526028 +1
  H     5.33243497 +1  15.54626510 +1  -0.72446966 +1
  H     6.51446106 +1  14.91493180 +1  -1.87667625 +1
  H     7.06045766 +1  15.67629364 +1  -0.37837023 +1