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PULAY PM7 Niobium(V) oxide trichloride I=8.483 IR=PW91D D=0.871 DR=PW91D H=-169.3 HR=PW91D O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Nb 1.73428135 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.32216404 +1 97.9383211 +1 0.0000000 +0 2 1 0 Cl 2.32215709 +1 97.9369937 +1 120.0320332 +1 2 1 3 Cl 2.32209653 +1 97.9222969 +1 119.9690288 +1 2 1 4