File: osof2r.mop

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mopac 22.0.6%2Bdfsg-1
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*
*   -40.962
*
 PM7
Osmium(IV) oxide difluoride
 <Os-O> <Os-F> <O-Os-F> GR=PW91D
 Os     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.67131600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.87520800 +1  128.4628110 +1    0.0000000 +0     1     2     0
  F     1.82843448 +1  158.4612973 +1  179.7729636 +1     1     2     3