PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

ruf3r   5056 Ruthenium(III) trifluoride (Geo)

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    #  Species Formula
  5046 Ru(III)O6 (ACACRU)C15H21O6Ru
  5047 Ru(C4H4N2COO)2(H2O)2C10H10N4O6Ru
  5048 Ru(C4H4N2COO)2(H2O)2 (Geo)C10H10N4O6Ru
  5049 Ru(NO2)4(CO)(H2O)(2+) (ILEVOK) (Geo)CH2N4O10Ru
  5050 Ru(III)(Ox)3(3-) (DUKNOM) (Geo)C6O12Ru
  5051 Ru(III)(Ox)3(3-) (DUKNOM)C6O12Ru
  5052 Ruthenium(I) fluoride (Geo)FRu
  5053 Ruthenium(I) fluorideFRu
  5054 Ruthenium(IV) oxide difluoride (Geo)OF2Ru
  5055 Ruthenium(IV) oxide difluorideOF2Ru
  5056 Ruthenium(III) trifluoride (Geo) F3Ru
  5057 Ruthenium(III) trifluorideF3Ru
  5058 Ru(III)F6 2T2gF6Ru
  5059 Ru(Cp)(CO)CP (CIMXAX) (Geo)C20H27O2PRu
  5060 Ru(CO)4(PEt3)C10H15O4PRu
  5061 Ru(CO)4(PEt3) (Geo)C10H15O4PRu
  5062 Ru(0)P5 (DOWFIE) (Geo)C15H42P5Ru
  5063 Ruthenium(I) chloride (Geo)ClRu
  5064 Ruthenium(I) chlorideClRu
  5065 [Ru(NH3)5Cl]++ (Geo)H15N5ClRu
  5066 RuN4SCl(+) (LUNXOH) (Geo)H12N4O2SClRu


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.
  
 PM7
Ruthenium(III) trifluoride
 <Ru-F> <Ru-F'> <F-Ru-F> GR=PW91D
 Ru     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.90088200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.89407400 +1  104.0425780 +1    0.0000000 +0     1     2     0
  F     1.87746330 +1  158.2035324 +1 -172.4128814 +1     1     2     3