Accuracy

re2cl6   7528 Re2Cl6

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    #  Species Formula
  7518 Re(CO)5IC5O5IRe
  7519 Re(CO)5I (Geo)C5O5IRe
  7520 Re(III)(CH3)P4IC(+) (BUKMUP) (Geo)C13H39P4IRe
  7521 Re(iv)Cl4I2(=) (Geo)Cl4I2Re
  7522 Rhenium(III) triiodide (Geo)I3Re
  7523 Rhenium(III) triiodideI3Re
  7524 Rhenium, dimer (Geo)Re2
  7525 Rhenium, dimerRe2
  7526 Re(V)2F11(-) (FUZJOZ) (Geo)F11Re2
  7527 Re(V)2F11(-) (FUZJOZ)F11Re2
  7528 Re2Cl6 Cl6Re2
  7529 Re2Cl6 (Geo)Cl6Re2
  7530 Osmium, cationOs
  7531 Osmium, atomOs
  7532 OsmoceneC10H10Os
  7533 Osmocene (Geo)C10H10Os
  7534 Os(II)(NH3)6H18N6Os
  7535 Os(II)(NH3)6 (Geo)H18N6Os
  7536 Osmium(II) tris(ethylenediamine) (Geo)C6H24N6Os
  7537 Osmium(II) tris(ethylenediamine)C6H24N6Os
  7538 [Os(NH3)5H2O]++ (Geo)H17N5OOs


ΔHf: 66.7 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 PULAY PM7
Re2Cl6
 H=66.7 HR=PW91D
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Re     2.42267351 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.43792641 +1   60.3042855 +1    0.0000000 +0     1     2     0
 Cl     2.41171213 +1   59.8465447 +1 -171.3725800 +1     2     1     3
 Cl     2.44213463 +1   60.1950373 +1   83.2598037 +1     1     2     3
 Cl     2.27480667 +1  134.8347760 +1  138.8230550 +1     1     2     5
 Cl     2.41037905 +1   59.8622698 +1 -100.1194388 +1     2     1     4
 Cl     2.27451529 +1  134.8290409 +1   49.9287321 +1     2     1     7