PM7 Accuracy

Li(Cp)r    169 Lithium cyclopentadienide (Geo)

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    #  Species Formula
   159 2-Methyl-2-buteneC5H10
   160 cis-2-PenteneC5H10
   161 cis-DimethylcyclopropaneC5H10
   162 CyclopentaneC5H10
   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
   173 Benzene (Geo)C6H6
   174 FulveneC6H6
   175 Fulvene (Geo)C6H6
   176 (E)-1,3,5-HexatrieneC6H8
   177 (Z)-1,3,5-HexatrieneC6H8
   178 1,3-CyclohexadieneC6H8
   179 1,4-CyclohexadieneC6H8


REF: 6-31G(d) basis set using the B3LYP Density Functional
  
 PM7
Lithium cyclopentadienide
 <Li-C> GR=B3LYP
 Li     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     2.11035600  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.41638866  1   72.7007568  1    0.0000000  0     2     1     0
  C     1.41611958  1  107.9692549  1   64.8137551  1     3     2     1
  C     1.41612498  1  108.0298163  1   -0.1804638  1     4     3     2
  C     1.41642116  1  107.9861160  1    0.1831814  1     5     4     3
  H     1.06856130  1  125.4130299  1 -122.1392618  1     2     1     3
  H     1.06817796  1  125.8520152  1  173.6650656  1     3     2     4
  H     1.06861846  1  125.8584042  1  173.7279358  1     4     3     5
  H     1.06844668  1  125.8219522  1  173.4237973  1     5     4     6
  H     1.06851321  1  125.8067049  1  173.6731434  1     6     5     4