PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

cyclopentadienyl, anion    145 Cyclopentadienyl, anion

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    #  Species Formula
   135 n-Butane (Geo)C4H10
   136 Isobutane (Geo)C4H10
   137 IsobutaneC4H10
   138 n-Butane, transC4H10
   139 t-butyl lithium (Geo)H9LiC4
   140 n-Butyl lithium (Geo)H9LiC4
   141 n-Butyl lithiumH9LiC4
   142 t-Butyl lithiumH9LiC4
   143 DiethylberylliumH10BeC4
   144 C4B2H6C4H6B2
   145 Cyclopentadienyl, anion C5H5
   146 Cyclopentadiene (Geo)C5H6
   147 CyclopentadieneC5H6
   148 1,2-Dimethyl cyclopropeneC5H8
   149 1,4-PentadieneC5H8
   150 1,cis-3-PentadieneC5H8
   151 1,trans-3-PentadieneC5H8
   152 Bicyclo(2.1.0)-pentaneC5H8
   153 CyclopenteneC5H8
   154 IsopreneC5H8
   155 Methylene cyclobutaneC5H8


ΔHf: 21.3 kcal/mol,     REF: J. E. Bartmess, R. T. McIver, "Gas Phase Ion Chemistry," Academic Press, New York, 1979, Vol. II.
  
 SYMMETRY CHARGE=-1 PM7
Cyclopentadienyl, anion
 H=21.3 HR=BM1979
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.41144233 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.41144233 +0  108.0000000 +0    0.0000000 +0     2     1     0
  C     1.41144233 +0  108.0000000 +0    0.0000000 +0     3     2     1
  C     1.41144233 +0  108.0000000 +0    0.0000000 +0     4     3     2
  H     1.06080484 +1  126.0000000 +0  180.0000000 +0     1     2     3
  H     1.06080484 +0  126.0000000 +0  180.0000000 +0     2     3     4
  H     1.06080484 +0  126.0000000 +0  180.0000000 +0     3     4     5
  H     1.06080484 +0  126.0000000 +0  180.0000000 +0     4     5     1
  H     1.06080484 +0  126.0000000 +0  180.0000000 +0     5     1     2