File: O2_ref.mop

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open(4,3) triplet
 Oxygen -ref
 H=0 hr=ref
  O     0.00000000 +0   0.00000000 +0   0.00000000 +0                         0.0000
  O     1.1 +0   0.00000000 +0   0.00000000 +0                         0.0000