File: k2or.mop

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mopac 22.0.6%2Bdfsg-1
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*   -20.696
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 SYMMETRY PM7
K2O
 <K-O> GR=HIKL1992 GWT=0.5
  K     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.26100000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  K     2.26100000 +0  179.9490116 +1  180.0000000 +0     2     1     0
 
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