File: krfr.mop

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mopac 22.0.6%2Bdfsg-1
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*   -51.223
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 CHARGE=-1 PM7
Krypton fluoride anion
 <Kr-F> GR=HF631G
 Kr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     2.86200000 +1    0.0000000 +0    0.0000000 +0     1     0     0