Accuracy

hexyl cyclopentane    315 Hexyl cyclopentane

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    #  Species Formula
   305 (E)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   306 (Z)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   307 1-DeceneC10H20
   308 Butyl cyclohexaneC10H20
   309 Pentyl cyclopentaneC10H20
   310 2,2,5,5-TetramethylhexaneC10H22
   311 3,3,4,4-TetramethylhexaneC10H22
   312 n-DecaneC10H22
   313 PentamethylbenzeneC11H16
   314 1,1,4-TrimethylcycloheptaneC11H22
   315 Hexyl cyclopentane C11H22
   316 Pentyl cyclohexaneC11H22
   317 UndecaneC11H24
   318 AcenaphthyleneC12H8
   319 BiphenyleneC12H8
   320 AcenaphtheneC12H10
   321 BiphenylC12H10
   322 Biphenyl, for torsion (Torsion angle) (Geo)C12H10
   323 HexamethylbenzeneC12H18
   324 HexylcyclohexaneC12H24
   325 n-DuodecaneC12H26


ΔHf: -50.1 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
Hexyl cyclopentane
 H=-50.07 HR=NIST
  C    -0.00362855 +1  -0.02597030 +1  -0.05455612 +1
  C     1.51360401 +1  -0.03076936 +1   0.22091526 +1
  C     1.99099548 +1   1.43245623 +1   0.16562784 +1
  C     0.71804711 +1   2.30433953 +1   0.17915462 +1
  C    -0.37504279 +1   1.41368196 +1  -0.44703529 +1
  C     0.88591682 +1   3.61509119 +1  -0.59680828 +1
  C     1.82776830 +1   4.58000540 +1   0.13440038 +1
  C     1.97656507 +1   5.88903423 +1  -0.65117195 +1
  C     2.92341144 +1   6.85212506 +1   0.07549350 +1
  C     3.06944572 +1   8.16452547 +1  -0.70634979 +1
  C     4.02548330 +1   9.12074591 +1   0.00671941 +1
  H    -0.56126459 +1  -0.34090042 +1   0.84303483 +1
  H    -0.27036175 +1  -0.73823270 +1  -0.84948512 +1
  H     1.73001435 +1  -0.47992861 +1   1.20372054 +1
  H     2.04786782 +1  -0.64445405 +1  -0.52181806 +1
  H     2.65266058 +1   1.67613562 +1   1.00983869 +1
  H     2.57779135 +1   1.61340399 +1  -0.75048103 +1
  H     0.44203360 +1   2.53261255 +1   1.23359132 +1
  H    -1.37815305 +1   1.69154098 +1  -0.09327626 +1
  H    -0.38750892 +1   1.52392100 +1  -1.54421426 +1
  H    -0.10288493 +1   4.09196531 +1  -0.73720469 +1
  H     1.26783141 +1   3.41026890 +1  -1.61469262 +1
  H     1.44285716 +1   4.78845843 +1   1.14991873 +1
  H     2.81777234 +1   4.10770948 +1   0.27607417 +1
  H     0.98674071 +1   6.36249685 +1  -0.78877856 +1
  H     2.35705513 +1   5.67946932 +1  -1.66809322 +1
  H     2.54591357 +1   7.05981654 +1   1.09391257 +1
  H     3.91445741 +1   6.38062927 +1   0.21047523 +1
  H     2.07955634 +1   8.64256226 +1  -0.83079453 +1
  H     3.43611912 +1   7.95689265 +1  -1.72931734 +1
  H     3.66819139 +1   9.36814376 +1   1.01253741 +1
  H     5.02506437 +1   8.68426613 +1   0.10992102 +1
  H     4.13191605 +1  10.06099448 +1  -0.54573669 +1