Individual Molecules (Home)

5120 Ru(III)F6 2T2g

# Species Formula

5110 Ru(C4H4N2COO)2(H2O)2 (Geo) C10H10N4O6Ru

5111 Ru(NO2)4(CO)(H2O)(2+) (ILEVOK) (Geo) CH2N4O10Ru

5112 Ru(III)(Ox)3(3-) (DUKNOM) (Geo) C6O12Ru

5113 Ru(III)(Ox)3(3-) (DUKNOM) C6O12Ru

5114 Ruthenium(I) fluoride (Geo) FRu

5115 Ruthenium(I) fluoride FRu

5116 Ruthenium(IV) oxide difluoride (Geo) OF2Ru

5117 Ruthenium(IV) oxide difluoride OF2Ru

5118 Ruthenium(III) trifluoride (Geo) F3Ru

5119 Ruthenium(III) trifluoride F3Ru

5120 Ru(III)F6 2T2g F6Ru

5121 Ru(Cp)(CO)CP (CIMXAX) (Geo) C20H27O2PRu

5122 Ru(CO)4(PEt3) C10H15O4PRu

5123 Ru(CO)4(PEt3) (Geo) C10H15O4PRu

5124 Ru(0)P5 (DOWFIE) (Geo) C15H42P5Ru

5125 Ruthenium(I) chloride (Geo) ClRu

5126 Ruthenium(I) chloride ClRu

5127 [Ru(NH3)5Cl]++ (Geo) H15N5ClRu

5128 RuN4SCl(+) (LUNXOH) (Geo) H12N4O2SClRu

5129 RuN4SCl(+) (LUNXOH) H12N4O2SClRu

5130 Ru(IV)S6Cl (ETCCRU) (Geo) C15H30N3S6ClRu

For electronic state 1,2,T2G
DH_f: 0.0 kcal/mol, REF: Presumed ground state.

  
 ALLVECS MECI SHIFT=30 SYMMETRY CHARGE=-3 OPEN(5,6)
Ru(III)F6 2T2g
 ROOT=1,2,T2G H=0 HR=GS
 Ru         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  F         2.07737437 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  F         2.07737437 +1   90.0000000 +1    0.0000000 +0    1    2    0       0.0000
  F         2.07737437 +1   90.0000000 +1  180.0000000 +1    1    2    3       0.0000
  F         2.07737437 +1  180.0000000 +1    0.0000000 +1    1    2    3       0.0000
  F         2.07737437 +1   90.0000000 +1   90.0000000 +1    1    2    3       0.0000
  F         2.07737437 +1   90.0000000 +1  -90.0000000 +1    1    2    3       0.0000