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CHARGE=1 PULAY PM7 Niobium(V) tetraiodide, cation I=11.096 IR=PW91D H=146.3 HR=PW91D I 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Nb 2.60724306 +1 0.0000000 +0 0.0000000 +0 1 0 0 I 2.60729072 +1 109.4985687 +1 0.0000000 +0 2 1 0 I 2.60718114 +1 109.4369277 +1 -119.9386457 +1 2 1 3 I 2.60726820 +1 109.4800624 +1 -119.9444512 +1 2 1 4