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PULAY SHIFT=80 PM7 Molybdenum(VI) dichloride dioxide I=8.46 IR=PW91D D=0.86 DR=PW91D Mo 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cl 2.30093175 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 1.70084478 +1 104.1976015 +1 0.0000000 +0 1 2 0 O 1.70068482 +1 103.3634966 +1 105.8560214 +1 1 2 3 Cl 2.30122031 +1 135.5064080 +1 125.8331505 +1 1 2 4