Accuracy

ru(iii)f6 2t2g   5056 Ru(III)F6 2T2g

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    #  Species Formula
  5046 Ru(C4H4N2COO)2(H2O)2 (Geo)C10H10N4O6Ru
  5047 Ru(NO2)4(CO)(H2O)(2+) (ILEVOK) (Geo)CH2N4O10Ru
  5048 Ru(III)(Ox)3(3-) (DUKNOM) (Geo)C6O12Ru
  5049 Ru(III)(Ox)3(3-) (DUKNOM)C6O12Ru
  5050 Ruthenium(I) fluoride (Geo)FRu
  5051 Ruthenium(I) fluorideFRu
  5052 Ruthenium(IV) oxide difluoride (Geo)OF2Ru
  5053 Ruthenium(IV) oxide difluorideOF2Ru
  5054 Ruthenium(III) trifluoride (Geo)F3Ru
  5055 Ruthenium(III) trifluorideF3Ru
  5056 Ru(III)F6 2T2g F6Ru
  5057 Ru(Cp)(CO)CP (CIMXAX) (Geo)C20H27O2PRu
  5058 Ru(CO)4(PEt3)C10H15O4PRu
  5059 Ru(CO)4(PEt3) (Geo)C10H15O4PRu
  5060 Ru(0)P5 (DOWFIE) (Geo)C15H42P5Ru
  5061 Ruthenium(I) chloride (Geo)ClRu
  5062 Ruthenium(I) chlorideClRu
  5063 [Ru(NH3)5Cl]++ (Geo)H15N5ClRu
  5064 RuN4SCl(+) (LUNXOH) (Geo)H12N4O2SClRu
  5065 RuN4SCl(+) (LUNXOH)H12N4O2SClRu
  5066 Ru(IV)S6Cl (ETCCRU) (Geo)C15H30N3S6ClRu


For electronic state 1,2,T2G
ΔHf: 0.0 kcal/mol,     REF: Presumed ground state.
  
 ALLVECS MECI SHIFT=30 SYMMETRY CHARGE=-3 OPEN(5,6) PM7
Ru(III)F6 2T2g
 ROOT=1,2,T2G H=0 HR=GS
 
 Ru     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     2.30666231 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     2.30666231 +1   90.0000000 +1    0.0000000 +0     1     2     0
  F     2.30666231 +1   90.0000000 +1  180.0000000 +1     1     2     3
  F     2.30666231 +1  180.0000000 +1    0.0000000 +1     1     2     3
  F     2.30666231 +1   90.0000000 +1   90.0000000 +1     1     2     3
  F     2.30666231 +1   90.0000000 +1  -90.0000000 +1     1     2     3
 
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