File: lich3r.mop

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*
*    23.019
*
 SYMMETRY PM7
Methyl lithium
 GR=SLW1991 <Li-C>
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.00400000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.06486842 +1  107.2216147 +1    0.0000000 +0     2     1     0
  H     1.06486842 +0  107.2216147 +0  120.0000000 +0     2     1     3
  H     1.06486842 +0  107.2216147 +0 -120.0000000 +0     2     1     3
 
   3  1    4    5
   3  2    4    5