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

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     1.42326157 +1   78.7273654 +1    0.0000000 +0     2     1     0
  C     1.41036334 +1  107.8126880 +1   71.1079089 +1     3     2     1
  C     1.41610752 +1  108.2278678 +1    1.8182668 +1     4     3     2
  C     1.41027999 +1  108.3159974 +1   -0.0867344 +1     5     4     3
  H     1.07115535 +1  120.5501447 +1 -124.5763504 +1     2     1     3
  H     1.06972101 +1  125.8488116 +1  174.2009719 +1     3     2     4
  H     1.06825600 +1  126.0291633 +1  175.7476345 +1     4     3     5
  H     1.06847821 +1  125.5358179 +1  175.7325826 +1     5     4     6
  H     1.06945785 +1  126.0828065 +1  172.2043785 +1     6     5     4