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PM7 Water dimer Structure 1 (Non-planar open Cs) H=0.0 HR=REF O -0.06679487 +0 -1.48987260 +0 0.00000000 +0 O 0.06229548 +0 1.41618330 +0 0.00000000 +0 H 0.82318215 +0 -1.84461490 +0 0.00000000 +0 H 0.05552209 +0 -0.53234320 +0 0.00000000 +0 H -0.40364784 +0 1.77323030 +0 -0.75924220 +0 H -0.40364784 +0 1.77323030 +0 0.75924220 +0