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SYMMETRY CHARGE=-1 PM7 Niobium(V) hexafluoride, anion I=4.464 IR=PW91D H=-548.5 HR=PW91D F 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Nb 1.83134343 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.83134343 +1 90.0000000 +1 0.0000000 +0 2 1 0 F 1.83134343 +1 90.0000000 +1 180.0000000 +1 2 3 1 F 1.83134343 +1 90.0000000 +1 180.0000000 +1 2 4 3 F 1.83134343 +1 90.0000000 +1 90.0000000 +1 2 3 4 F 1.83134343 +1 90.0000000 +1 -90.0000000 +1 2 3 4