File: iri6r.mop

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file content (14 lines) | stat: -rw-r--r-- 607 bytes parent folder | download | duplicates (2) 
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*    34.529
*
 CHARGE=-3 PULAY SHIFT=20 PM7
Iridium(III) hexaiodide
 <Ir-I> GR=PW91D
 Ir     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.83295100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.95527773 +1   90.2463763 +1    0.0000000 +0     1     2     0
  I     2.95520437 +1   90.2232778 +1  179.9808870 +1     1     2     3
  I     2.99267343 +1   89.7161537 +1 -179.9996926 +1     1     4     2
  I     2.95519481 +1   90.2297254 +1  -89.9874264 +1     1     2     4
  I     2.95524126 +1   90.2344321 +1  179.9731841 +1     1     2     6