PM7 Accuracy

pentyl cyclopentane    311 Pentyl cyclopentane

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    #  Species Formula
   301 PerhydrotriquinaceneC10H16
   302 1-Methyl-4-(1-methylethyl)-cyclohexeneC10H18
   303 4-Methyl-1-(1-methylethyl)-cyclohexeneC10H18
   304 cis-DecalinC10H18
   305 Spiro(4-5)decaneC10H18
   306 trans-DecalinC10H18
   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 cyclopentane C10H20
   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 cyclohexaneC11H22
   319 UndecaneC11H24
   320 AcenaphthyleneC12H8
   321 BiphenyleneC12H8


DHf: -45.2 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 cyclopentane
 H=-45.15 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54367935  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53991060  1  106.4053715  1    0.0000000  0     2     1     0
  C     1.54174117  1  107.1878184  1  -11.2903233  1     3     2     1
  C     1.54294350  1  104.8177212  1   26.5307814  1     1     2     3
  C     1.53260912  1  112.8377522  1  121.5693854  1     1     2     5
  C     1.53430406  1  111.2155592  1   69.3883272  1     6     1     2
  C     1.53409677  1  110.5777534  1 -179.8504346  1     7     6     1
  C     1.53499025  1  110.6746311  1 -179.9999150  1     8     7     6
  C     1.52899127  1  110.8094067  1 -179.9643964  1     9     8     7
  H     1.11326667  1  109.1964007  1  121.7565435  1     1     2     6
  H     1.10282412  1  110.6876112  1 -120.1378080  1     2     1     3
  H     1.09986119  1  111.3185670  1 -117.9635285  1     2     1    12
  H     1.10152328  1  110.7807487  1 -121.2341187  1     3     2     4
  H     1.10170322  1  110.9895266  1 -117.7133143  1     3     2    14
  H     1.10057908  1  111.4529844  1 -130.0511012  1     4     3     2
  H     1.10255021  1  110.5777701  1 -118.0684738  1     4     3    16
  H     1.09942716  1  111.6870318  1 -153.4168526  1     5     1     2
  H     1.10277021  1  110.8324393  1 -118.7307767  1     5     1    18
  H     1.10564876  1  110.3113361  1 -122.3922695  1     6     1     7
  H     1.10652365  1  109.6154137  1 -116.0839282  1     6     1    20
  H     1.10566171  1  110.0742634  1  121.7647066  1     7     6     8
  H     1.10565940  1  110.0680454  1  116.4091238  1     7     6    22
  H     1.10550068  1  110.1364883  1 -121.7561926  1     8     7     9
  H     1.10554400  1  110.1210623  1 -116.4714723  1     8     7    24
  H     1.10608363  1  110.0583753  1  121.8419497  1     9     8    10
  H     1.10615814  1  110.0297468  1  116.3442497  1     9     8    26
  H     1.09564733  1  111.4112442  1   59.9880115  1    10     9     8
  H     1.09564391  1  111.4037960  1 -120.0797666  1    10     9    28
  H     1.09537910  1  111.2998995  1 -119.9521350  1    10     9    29