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REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
PULAY SHIFT=80 Mo(VI)F6 d0 <Mo-F> GR=PW91D Mo 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 F 1.88574500 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 F 1.81434521 +1 89.9856739 +1 0.0000000 +0 1 2 0 0.0000 F 1.81433519 +1 89.9445582 +1 -90.0265578 +1 1 2 3 0.0000 F 1.81435071 +1 90.1634722 +1 179.9897759 +1 1 2 4 0.0000 F 1.81432094 +1 89.9712660 +1 -179.9544144 +1 1 5 2 0.0000 F 1.81434215 +1 89.9265672 +1 -90.0262798 +1 1 2 4 0.0000