File: liohr.mop

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mopac 22.0.6%2Bdfsg-1
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*  -118.971
*
 PM7
Lithium hydroxide
 <Li-O> <O-H> <O-H> GR=JANAF86 GWT=0.2
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.58200000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     0.97000000 +1  180.0000000 +1    0.0000000 +0     2     1     0