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CHARGE=-1 PM7 Niobium hexacarbonyl, anion H=-259.7 HR=PW91D I=1.25 IR=PW91D Nb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 2.14078084 +1 0.0000000 +0 0.0000000 +0 1 0 0 C 2.12013404 +1 109.1868552 +1 0.0000000 +0 1 2 0 C 2.00441236 +1 160.4181199 +1 -134.1068415 +1 1 2 3 C 2.38329479 +1 116.0394908 +1 147.1568701 +1 1 4 2 C 2.02012856 +1 84.1931907 +1 -33.0045136 +1 1 2 4 C 1.89170519 +1 75.5534194 +1 98.2834792 +1 1 2 6 O 1.16675501 +1 164.8289485 +1 -139.2652883 +1 2 3 1 O 1.17975299 +1 146.0193174 +1 -148.1166836 +1 4 2 1 O 1.16268430 +1 118.3183011 +1 1.2556731 +1 5 1 7 O 1.17776764 +1 126.8328581 +1 -145.0495170 +1 6 2 1 O 1.19296497 +1 131.1522308 +1 158.0931801 +1 7 2 1 O 1.16785713 +1 165.4884822 +1 158.0565985 +1 3 2 1