Individual Molecules (Home)

5117 Ruthenium(IV) oxide difluoride

DH_f: -69.2 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: 1.9 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.

  

Ruthenium(IV) oxide difluoride
 D=1.89 DR=PW91D H=-69.2 HR=PW91D
 Ru         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  O         1.67182493 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  F         1.90629963 +1  132.5673924 +1    0.0000000 +0    1    2    0       0.0000
  F         1.90721050 +1  131.0944386 +1 -179.9981916 +1    1    2    3       0.0000