File: f.mop

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mopac 23.1.2-1
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 FORCE GNORM=0.02 SYMMETRY
Xenon tetroxide
 H=0 HR=REF
 Xe         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  O         5.30738516 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  O         5.30738516 +0  109.4712210 +0    0.0000000 +0    1    2    0       0.0000
  O         5.30738516 +0  109.4712210 +0 -120.0000000 +0    1    2    3       0.0000
  O         5.30738516 +0  109.4712210 +0 -120.0000000 +0    1    2    4       0.0000
 
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