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

ruthenium(i) chloride   5064 Ruthenium(I) chloride

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    #  Species Formula
  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) chloride ClRu
  5065 [Ru(NH3)5Cl]++ (Geo)H15N5ClRu
  5066 RuN4SCl(+) (LUNXOH) (Geo)H12N4O2SClRu
  5067 RuN4SCl(+) (LUNXOH)H12N4O2SClRu
  5068 Ru(IV)S6Cl (ETCCRU) (Geo)C15H30N3S6ClRu
  5069 Ru(IV)S6Cl (ETCCRU)C15H30N3S6ClRu
  5070 Ruthenium(IV) oxide dichloride (Geo)OCl2Ru
  5071 Ruthenium(IV) oxide dichlorideOCl2Ru
  5072 Ru(CO)3Cl2(H2O) (OLUWUN) (Geo)C3H2O4Cl2Ru
  5073 Ru(CO)3Cl2(H2O) (OLUWUN)C3H2O4Cl2Ru
  5074 Ru(CO)3Cl2O (ZUHBEJ) (Geo)C7H8O4Cl2Ru


ΔHf: 98.2 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: 4.4 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.
  
 FIELD=(0.0,0.1,0) UHF PM7
Ruthenium(I) chloride
 D=4.392 DR=PW91D H=98.2 HR=PW91D
 Ru     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     1.74364882 +1    0.0000000 +0    0.0000000 +0     1     0     0