PM7 Accuracy

hexyl cyclopentane    317 Hexyl cyclopentane

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


DHf: -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