PM7 Accuracy

pentyl cyclohexane    318 Pentyl cyclohexane

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    #  Species Formula
   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 cyclopentaneC11H22
   318 Pentyl cyclohexane C11H22
   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
   328 Tri-isobutylboraneH27BC12


DHf: -55.9 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
Pentyl cyclohexane
 H=-55.88 HR=NIST
  C    -0.01627419  1  -0.00687153  1   0.01814189  1
  C     1.51067603  1  -0.00355452  1   0.16897540  1
  C     2.04621084  1   1.43385585  1   0.18245092  1
  C     1.64728866  1   2.17059174  1  -1.10875537  1
  C     0.11300050  1   2.17152866  1  -1.24959579  1
  C    -0.43091380  1   0.73726480  1  -1.25818589  1
  C     2.16433871  1   3.62050283  1  -1.09662369  1
  C     3.68293649  1   3.68092318  1  -1.30115424  1
  C     4.18600348  1   5.12679620  1  -1.20227550  1
  C     5.71334538  1   5.17475291  1  -1.34248892  1
  C     6.23491386  1   6.60336354  1  -1.18788494  1
  H    -0.39465605  1  -1.04422277  1  -0.00609646  1
  H    -0.48291352  1   0.47016824  1   0.89990083  1
  H     1.80220941  1  -0.52508265  1   1.09826435  1
  H     1.97310785  1  -0.57173160  1  -0.65927746  1
  H     3.14551538  1   1.42602039  1   0.29341957  1
  H     1.65391063  1   1.97466848  1   1.06252447  1
  H     2.08755678  1   1.63330171  1  -1.98107703  1
  H    -0.33958101  1   2.74159486  1  -0.41781143  1
  H    -0.18378826  1   2.69176704  1  -2.17791000  1
  H    -1.53224221  1   0.75113871  1  -1.34827070  1
  H    -0.05798477  1   0.19708474  1  -2.14804575  1
  H     1.88827779  1   4.11152208  1  -0.14588264  1
  H     1.66242111  1   4.20309128  1  -1.89209786  1
  H     4.19398256  1   3.05300357  1  -0.54713062  1
  H     3.95051907  1   3.25142770  1  -2.28447535  1
  H     3.88076543  1   5.56958081  1  -0.23618195  1
  H     3.71278151  1   5.74947314  1  -1.98302921  1
  H     6.18205748  1   4.51871769  1  -0.58435620  1
  H     6.01486361  1   4.76613520  1  -2.32547746  1
  H     5.97640746  1   7.01981228  1  -0.20812278  1
  H     5.81470185  1   7.26813939  1  -1.95008834  1
  H     7.32563620  1   6.63982298  1  -1.28354206  1