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5119 Ruthenium(III) trifluoride

DH_f: -91.7 kcal/mol,     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.
Dipole: 2.0 Debye,     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.

  
 UHF SEXTET RELSCF=10
Ruthenium(III) trifluoride
 D=2.015 DR=PW91D H=-91.7 HR=PW91D
 Ru         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  F         1.90619850 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  F         1.91368538 +1  142.5801894 +1    0.0000000 +0    1    2    0       0.0000
  F         1.90648532 +1   74.4404085 +1 -179.9998082 +1    1    2    3       0.0000