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PULAY SHIFT=50 SYMMETRY PM7 Tungsten hexacarbonyl <W-C> GR=PW91D W 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 2.08200000 +1 0.0000000 +0 0.0000000 +0 1 0 0 C 2.08200000 +0 90.0000000 +0 0.0000000 +0 1 2 0 C 2.08200000 +0 90.0000000 +0 180.0000000 +0 1 2 3 C 2.08200000 +0 180.0000000 +0 0.0000000 +0 1 2 3 C 2.08200000 +0 90.0000000 +0 90.0000000 +0 1 2 3 C 2.08200000 +0 90.0000000 +0 -90.0000000 +0 1 2 3 O 1.15227859 +1 180.0000000 +0 0.0000000 +0 2 1 3 O 1.15227859 +0 180.0000000 +0 0.0000000 +0 4 1 2 O 1.15227859 +0 180.0000000 +0 0.0000000 +0 5 1 3 O 1.15227859 +0 180.0000000 +0 0.0000000 +0 6 1 3 O 1.15227859 +0 180.0000000 +0 0.0000000 +0 7 1 3 O 1.15227859 +0 180.0000000 +0 0.0000000 +0 3 1 2 2 1 3 4 5 6 7 8 1 9 10 11 12 13