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

rhodium(i) bromide   5154 Rhodium(I) bromide

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    #  Species Formula
  5144 RhC2NCl (CAWZUV) (Geo)C5H4N2O2ClRh
  5145 RhC2NCl (CAWZUV)C5H4N2O2ClRh
  5146 Rh(III)N4Cl2(+) (DEYMUP) (Geo)C4H16N4Cl2Rh
  5147 Rh(III)N4Cl2(+) (DEYMUP)C4H16N4Cl2Rh
  5148 Rh(I)C2Cl2(-) (GABKOJ) (Geo)C2O2Cl2Rh
  5149 Rh(III)N4Cl2(-) (CDMGRH10) (Geo)C8H14N4O4Cl2Rh
  5150 Rh(III)OS2Cl3 (DMSRHC10) (Geo)C6H18O3S3Cl3Rh
  5151 Rhodium(V) tetrachloride, cation (Geo)Cl4Rh
  5152 Rh(III)O2Cl4(-) (TMAARH) (Geo)O2Cl4Rh
  5153 Rhodium(I) bromide (Geo)BrRh
  5154 Rhodium(I) bromide BrRh
  5155 Rhodium(V) oxide dibromide, cation (Geo)OBr2Rh
  5156 Rhodium(V) oxide dibromide, cationOBr2Rh
  5157 Rhodium(V) tetrabromide, cation (Geo)Br4Rh
  5158 Rhodium(V) tetrabromide, cationBr4Rh
  5159 Rh2(CO)8C8O8Rh2
  5160 Rh2(CO)8 (Geo)C8O8Rh2
  5161 Rh2Cl2C4 (FUZBEH01) (Geo)C4O4Cl2Rh2
  5162 Rh2Cl2C4 (FUZBEH01)C4O4Cl2Rh2
  5163 Trichloro-bis((pentamethylcyclopentadienyl) rhodium(iii)) (Geo)C20H30Cl3Rh2
  5164 Rh2(Cp)2CO2Br (MLDRHB10) (Geo)C13H13O2BrRh2


ΔHf: 112.5 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: 4.0 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.
I.P.: 5.0 eV,     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.
  
 UHF SHIFT=80 PULAY PM7
Rhodium(I) bromide
 I=4.968 IR=PW91D D=3.957 DR=PW91D H=112.5 HR=PW91D
 Rh     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.33225583 +1    0.0000000 +0    0.0000000 +0     1     0     0