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SYMMETRY PULAY SHIFT=80 PM7 Molybdenum dioxide dichloride <Mo-O> <Mo-Cl> <> <O-Mo-O> <Cl-Mo-Cl> GR=HIKL1992 Mo 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 O 1.69800000 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.25900000 +1 90.1016950 +1 0.0000000 +0 1 2 0 O 1.69800000 +0 104.0000000 +1 90.0000000 +0 1 2 3 Cl 2.25900000 +0 112.0000000 +1 90.0000000 +0 1 3 2 2 1 4 3 1 5