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PULAY PM7 Zirconium(IV) oxide dichloride <Zr-Cl><><><Zr=O> GR=PW91D Zr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cl 2.39180300 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.43379277 +1 132.0577638 +1 0.0000000 +0 1 2 0 O 1.77651800 +1 114.0086516 +1 179.9987033 +1 1 2 3