File: feir.mop

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mopac 22.0.6%2Bdfsg-1
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*  -146.322
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 PM7
Iron(I) iodide
 I<Fe-I> GR=PW91D
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.44086500 +1    0.0000000 +0    0.0000000 +0     1     0     0