Accuracy

Re(V)Br6(-) (COJYAB)   7507 Re(V)Br6(-) (COJYAB)

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    #  Species Formula
  7497 Re(CO)5Br (Geo)C5O5BrRe
  7498 Re(V)(Cp)2Br2(+) (CPBRRE) (Geo)C10H10Br2Re
  7499 Re(V)(Cp)2Br2(+) (CPBRRE)C10H10Br2Re
  7500 Rhenium(III) tribromide (Geo)Br3Re
  7501 Rhenium(III) tribromideBr3Re
  7502 Re(V)Br3N2O (BAWSAU) (Geo)C10H8N2OBr3Re
  7503 Re(V)Br3N2O (BAWSAU)C10H8N2OBr3Re
  7504 Re(IV)Br4N2 (BAWSEY) (Geo)C10H8N2Br4Re
  7505 Re(IV)Br4N2 (BAWSEY)C10H8N2Br4Re
  7506 Re(V)Br6(-) (COJYAB) (Geo)Br6Re
  7507 Re(V)Br6(-) (COJYAB) Br6Re
  7508 Re(IV)Br6(2-) (AYOMAC) (Geo)Br6Re
  7509 Re(IV)Br6(2-) (AYOMAC)Br6Re
  7510 Rhenium(I) iodide (Geo)IRe
  7511 Rhenium(I) iodideIRe
  7512 Dimethyl rhenium iodideC2H6IRe
  7513 Dimethyl rhenium iodide (Geo)C2H6IRe
  7514 Rhenium(III) oxide iodide (Geo)OIRe
  7515 Rhenium(III) oxide iodideOIRe
  7516 ReC4OI (CIRPAU) (Geo)C8H12OIRe
  7517 ReC4OI (CIRPAU)C8H12OIRe


ΔHf: -36.9 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.
  
 UHF CHARGE=-1 PM7
Re(V)Br6(-) (COJYAB)
 H=-36.9 HR=PW91D
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.44976202 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.45079286 +1   89.6000859 +1    0.0000000 +0     1     2     0
 Br     2.39690008 +1   90.1130868 +1   89.9279531 +1     1     2     3
 Br     2.44923616 +1   89.6773796 +1  179.5348345 +1     1     4     2
 Br     2.39636765 +1   89.8433466 +1  179.7734467 +1     1     2     4
 Br     2.44804130 +1   90.3945680 +1  -89.5915060 +1     1     2     6