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PULAY PM7 Zirconium(IV) oxide dichloride I=7.62 IR=PW91D D=4.266 DR=PW91D Zr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cl 2.43605711 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.43576915 +1 132.0864683 +1 0.0000000 +0 1 2 0 O 1.76642476 +1 114.0964080 +1 -179.8995873 +1 1 2 3