Accuracy

ru(iii)(cn)6 2t2g   5020 Ru(III)(CN)6 2T2g

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    #  Species Formula
  5010 RuC10 (JODLIX) (Geo)C10H12Ru
  5011 RuC10 (JODLIX)C10H12Ru
  5012 RuC10 (CEJLOS) (Geo)C13H14Ru
  5013 RuC10 (CEJLOS)C13H14Ru
  5014 RuC10 (BEPJIP) (Geo)C10H11NRu
  5015 RuC10 (BEPJIP)C10H11NRu
  5016 Ru(II)(NH3)6H18N6Ru
  5017 Ru(II)(NH3)6 (Geo)H18N6Ru
  5018 Ru(III)N6(3+) (NEFYAY) (Geo)C5H20N6Ru
  5019 Ru(III)N6(3+) (NEFYAY)C5H20N6Ru
  5020 Ru(III)(CN)6 2T2g C6N6Ru
  5021 Ru(II)N6(2+) (VIYMIZ) (Geo)C12H18N6Ru
  5022 Ru(II)N6(2+) (VIYMIZ)C12H18N6Ru
  5023 [Ru(NH3)5H2O]++ (Geo)H17N5ORu
  5024 Methyl ruthenium(III) dihydroxide (Geo)CH5O2Ru
  5025 Ru(II)(C6H6)(H2O)3(2+) (GAWTED) (Geo)C6H12O3Ru
  5026 Ru(II)(C6H6)(H2O)3(2+) (GAWTED)C6H12O3Ru
  5027 Ru(III)O3N3(2+) (GOKBIR) (Geo)C5H18N3O3Ru
  5028 Ru(III)O3N3(2+) (GOKBIR)C5H18N3O3Ru
  5029 Ru(CN)3(CO)3(-) (XIHWEQ) (Geo)C6N3O3Ru
  5030 Ru(CN)3(CO)3(-) (XIHWEQ)C6N3O3Ru


For electronic state 1,2,T2G
ΔHf: 0.0 kcal/mol,     REF: Presumed ground state.
  
 OPEN(11,6) ALLVECS MECI SHIFT=30 SYMMETRY CHARGE=-3 PM7
Ru(III)(CN)6 2T2g
 ROOT=1,2,T2G H=0 HR=GS
 
 Ru     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.91130621 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.91130621 +0   90.0000000 +0    0.0000000 +0     1     2     0
  C     1.91130621 +0   90.0000000 +0  180.0000000 +0     1     2     3
  C     1.91130621 +0  180.0000000 +0    0.0000000 +0     1     2     3
  C     1.91130621 +0   90.0000000 +0   90.0000000 +0     1     2     3
  C     1.91130621 +0   90.0000000 +0  -90.0000000 +0     1     2     3
  N     1.17964192 +1  180.0000000 +0    0.0000000 +0     2     1     3
  N     1.17964192 +0  180.0000000 +0    0.0000000 +0     4     1     2
  N     1.17964192 +0  180.0000000 +0    0.0000000 +0     5     1     3
  N     1.17964192 +0  180.0000000 +0    0.0000000 +0     6     1     3
  N     1.17964192 +0  180.0000000 +0    0.0000000 +0     7     1     3
  N     1.17964192 +0  180.0000000 +0    0.0000000 +0     3     1     2
 
   2  1    3    4    5    6    7
   8  1    9   10   11   12   13