Accuracy

technetium(iii) oxide bromide   4998 Technetium(III) oxide bromide

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    #  Species Formula
  4988 Tc(V)Cl4O(-) (VAVVAP01) (Geo)OCl4Tc
  4989 Tc(V)Cl4O(-) (VAVVAP01)OCl4Tc
  4990 Tc(IV)Cl4P2 (LALGUA) (Geo)C6H18P2Cl4Tc
  4991 Tc(IV)S2Cl4 (WAJFOD) (Geo)C8H16S2Cl4Tc
  4992 Tc(IV)S2Cl4 (WAJFOD)C8H16S2Cl4Tc
  4993 Tc(IV)Cl6(2-) (CIMFEJ) (Geo)Cl6Tc
  4994 Tc(IV)Cl6(2-) (CIMFEJ)Cl6Tc
  4995 Technetium(I) bromide (Geo)BrTc
  4996 Technetium(I) bromideBrTc
  4997 Technetium(III) oxide bromide (Geo)OBrTc
  4998 Technetium(III) oxide bromide OBrTc
  4999 Tc(CO)5BrC5O5BrTc
  5000 Tc(CO)5Br (Geo)C5O5BrTc
  5001 Technetium(III) tribromide (Geo)Br3Tc
  5002 Technetium(III) tribromideBr3Tc
  5003 Tc(VI)NBr4(-) (DANNIP) (Geo)NBr4Tc
  5004 Tc(VI)NBr4(-) (DANNIP)NBr4Tc
  5005 Ruthenium, atomRu
  5006 Ru(Cp)2 (CYCPRU07) (Geo)C10H10Ru
  5007 Ru(Cp)2 (CYCPRU07)C10H10Ru
  5008 Ruthenocene (Geo)C10H10Ru


ΔHf: 52.6 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: 1.9 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.: 4.9 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.
  
 PM7
Technetium(III) oxide bromide
 I=4.914 IR=PW91D D=1.854 DR=PW91D H=52.6 HR=PW91D
 Tc     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.67499697 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.45035996 +1  179.9857750 +1    0.0000000 +0     1     2     0