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sources / mopac / 23.1.2-1 / data / normal / feir.mop
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* * -146.322 * 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