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

rubrr   5093 Ruthenium(I) bromide (Geo)

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    #  Species Formula
  5083 RuCl4N2 (MAWFAR) (Geo)C4H6N2Cl4Ru
  5084 RuCl4N2 (MAWFAR)C4H6N2Cl4Ru
  5085 Ru(III)Cl4N2(-) (JAYSOR) (Geo)C10H8N2Cl4Ru
  5086 Ru(III)Cl4N2(-) (JAYSOR)C10H8N2Cl4Ru
  5087 Ru(III)N2Cl4(-) (FUMWIT) (Geo)C6H14N4Cl4Ru
  5088 Ru(III)N2Cl4(-) (FUMWIT)C6H14N4Cl4Ru
  5089 Ru(IV)Cl6(2-) (YARREP) (Geo)Cl6Ru
  5090 Ru(IV)Cl6(2-) (YARREP)Cl6Ru
  5091 Ru(III)Cl6(3-) (YOJBUU01) (Geo)Cl6Ru
  5092 Ru(III)Cl6(3-) (YOJBUU01)Cl6Ru
  5093 Ruthenium(I) bromide (Geo) BrRu
  5094 Ruthenium(I) bromideBrRu
  5095 Ru(Cp)(CO)2Br (BUPNOP) (Geo)C7H5O2BrRu
  5096 Ru(Cp)(CO)2Br (BUPNOP)C7H5O2BrRu
  5097 Ruthenium(IV) oxide dibromide (Geo)OBr2Ru
  5098 Ruthenium(IV) oxide dibromideOBr2Ru
  5099 RuN2(CO)2Br2 (TAWVOC) (Geo)C12H8N2O2Br2Ru
  5100 RuN2(CO)2Br2 (TAWVOC)C12H8N2O2Br2Ru
  5101 Ru(III)N3Br3 (PIDNAR) (Geo)C2H8N3OBr3Ru
  5102 Ru(III)N3Br3 (PIDNAR)C2H8N3OBr3Ru
  5103 Ruthenium, dimer (Geo)Ru2


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(I) bromide
 <Ru-Br> GR=PW91D
 Ru     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.40792500 +1    0.0000000 +0    0.0000000 +0     1     0     0