Accuracy

lic4h9r    139 t-butyl lithium (Geo)

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    #  Species Formula
   129 Isobutene (Geo)C4H8
   130 IsobuteneC4H8
   131 trans-2-Butene (Geo)C4H8
   132 trans-2-ButeneC4H8
   133 Isobutyl, cationC4H9
   134 IsobutylC4H9
   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, anionC5H5
   146 Cyclopentadiene (Geo)C5H6
   147 CyclopentadieneC5H6
   148 1,2-Dimethyl cyclopropeneC5H8
   149 1,4-PentadieneC5H8


REF: M. Sana, G. Leroy, and C. Wilante, Organometallics, 10, 264 (1991)
  
 SYMMETRY PM7
t-butyl lithium
 <Li-C> GR=SLW1991
 
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.04100000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51041630 +1  106.4904645 +1    0.0000000 +0     2     1     0
  C     1.51041630 +0  106.4904645 +0  120.0000000 +0     2     1     3
  C     1.51041630 +0  106.4904645 +0 -120.0000000 +0     2     1     3
 XX     1.00000000 +0  131.0684333 +1    0.0000000 +0     3     2     1
 XX     1.00000000 +0  131.0684333 +0    0.0000000 +0     4     2     1
 XX     1.00000000 +0  131.0684333 +0    0.0000000 +0     5     2     1
  H     1.10168737 +1  110.6498862 +1  180.0000000 +0     3     2     1
  H     1.09464695 +1   54.2532283 +1   90.0000000 +0     3     6     2
  H     1.09464695 +0   54.2532283 +0  -90.0000000 +0     3     6     2
  H     1.10168737 +0  110.6498862 +0  180.0000000 +0     4     2     1
  H     1.09464695 +0   54.2532283 +0   90.0000000 +0     4     7     2
  H     1.09464695 +0   54.2532283 +0  -90.0000000 +0     4     7     2
  H     1.10168737 +0  110.6498862 +0  180.0000000 +0     5     2     1
  H     1.09464695 +0   54.2532283 +0   90.0000000 +0     5     8     2
  H     1.09464695 +0   54.2532283 +0  -90.0000000 +0     5     8     2
 
   3  1    4    5
   3  2    4    5
   6  2    7    8
   9  1   12   15
   9  2   12   15
  10  1   11   13   14   16   17
  10  2   11   13   14   16   17