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

Re(IV)Br6(2-) (AYOMAC)   7510 Re(IV)Br6(2-) (AYOMAC)

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    #  Species Formula
  7500 Re(V)(Cp)2Br2(+) (CPBRRE)C10H10Br2Re
  7501 Rhenium(III) tribromide (Geo)Br3Re
  7502 Rhenium(III) tribromideBr3Re
  7503 Re(V)Br3N2O (BAWSAU) (Geo)C10H8N2OBr3Re
  7504 Re(V)Br3N2O (BAWSAU)C10H8N2OBr3Re
  7505 Re(IV)Br4N2 (BAWSEY) (Geo)C10H8N2Br4Re
  7506 Re(IV)Br4N2 (BAWSEY)C10H8N2Br4Re
  7507 Re(V)Br6(-) (COJYAB) (Geo)Br6Re
  7508 Re(V)Br6(-) (COJYAB)Br6Re
  7509 Re(IV)Br6(2-) (AYOMAC) (Geo)Br6Re
  7510 Re(IV)Br6(2-) (AYOMAC) Br6Re
  7511 Rhenium(I) iodide (Geo)IRe
  7512 Rhenium(I) iodideIRe
  7513 Dimethyl rhenium iodideC2H6IRe
  7514 Dimethyl rhenium iodide (Geo)C2H6IRe
  7515 Rhenium(III) oxide iodide (Geo)OIRe
  7516 Rhenium(III) oxide iodideOIRe
  7517 ReC4OI (CIRPAU) (Geo)C8H12OIRe
  7518 ReC4OI (CIRPAU)C8H12OIRe
  7519 Re(CO)5IC5O5IRe
  7520 Re(CO)5I (Geo)C5O5IRe


ΔHf: -55.2 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.
  
 CHARGE=-2 UHF PM7
Re(IV)Br6(2-) (AYOMAC)
 H=-55.2 HR=PW91D
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.51574101 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.51469906 +1  180.2050653 +1    0.0000000 +0     1     2     0
 Br     2.46968243 +1   89.9466910 +1  119.1877728 +1     1     2     3
 Br     2.51082338 +1   91.3671239 +1  -90.1557742 +1     1     2     4
 Br     2.47006410 +1   89.7131080 +1  -90.1684904 +1     1     2     5
 Br     2.51115722 +1   88.5412770 +1  -89.9431105 +1     1     2     6