File: cuir.mop

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mopac 22.0.6%2Bdfsg-1
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file content (9 lines) | stat: -rw-r--r-- 216 bytes parent folder | download | duplicates (2) 
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*
*   -99.000
*
 PULAY PM7
Copper(I) iodide
 <Cu-I> GR=PW91D
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.39353600 +1    0.0000000 +0    0.0000000 +0     1     0     0