PM7 Accuracy

cyclopentane    162 Cyclopentane

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    #  Species Formula
   152 Bicyclo(2.1.0)-pentaneC5H8
   153 CyclopenteneC5H8
   154 IsopreneC5H8
   155 Methylene cyclobutaneC5H8
   156 Spiropentane (Geo)C5H8
   157 SpiropentaneC5H8
   158 Cyclopentyl, cationC5H9
   159 2-Methyl-2-buteneC5H10
   160 cis-2-PenteneC5H10
   161 cis-DimethylcyclopropaneC5H10
   162 Cyclopentane C5H10
   163 trans-2-PenteneC5H10
   164 Neopentyl, anionC5H11
   165 IsopentaneC5H12
   166 n-PentaneC5H12
   167 Neopentane (Geo)C5H12
   168 NeopentaneC5H12
   169 Lithium cyclopentadienide (Geo)H5LiC5
   170 Cyclopentadienylberyllium hydrideH6BeC5
   171 C6H5 radicalC6H5
   172 BenzeneC6H6


DHf: -18.3 kcal/mol,     REF: J. B. Pedley, B. S. Iseard, "CATCH Tables of Silicon Compounds," University of Sussex, 1972
I.P.: 10.5 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY PM7
Cyclopentane
 H=-18.3 HR=CATCH I=10.5 IR=LLNBS82
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
 XX     0.77075333  1    0.0000000  0    0.0000000  0     1     0     0
 XX     1.47091026  1   90.0000000  0    0.0000000  0     2     1     0
  C     0.77075333  0   90.0000000  0  180.0000000  0     2     3     1
  C     1.22571102  1   90.0000000  0  180.0000000  0     3     2     1
  C     1.22571102  0   90.0000000  0    0.0000000  0     3     2     1
  C     0.92815466  1  153.5564703  1   90.0000000  0     3     2     1
  H     1.10088199  1  111.2053112  1  121.4991025  1     1     4     5
  H     1.10208855  1  110.5526368  1 -120.7457388  1     1     4     5
  H     1.10088199  0  111.2053112  0 -121.4988580  1     4     1     6
  H     1.10208855  0  110.5526368  0  120.7459518  1     4     1     6
  H     1.10307860  1  110.4546858  1 -103.6937046  1     5     4     1
  H     1.10013341  1  111.6470952  1  138.1350186  1     5     4     1
  H     1.10307860  0  110.4546858  0  103.6921678  1     6     1     4
  H     1.10013341  0  111.6470952  0 -138.1464274  1     6     1     4
  H     1.10009896  1  127.9842075  1   90.0018930  0     7     3     5
  H     1.10335298  1  125.4582907  1  -90.0020560  0     7     3     5
 
   2  1    4
   5  1    6
   8  1   10
   8  2   10
   9  1   11
   9  2   11
  12  1   14
  12  2   14
  13  1   15
  13  2   15