Accuracy

Re(V)2F11(-) (FUZJOZ)   7527 Re(V)2F11(-) (FUZJOZ)

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    #  Species Formula
  7517 ReC4OI (CIRPAU)C8H12OIRe
  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 Re2Cl6Cl6Re2
  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


ΔHf: -565.0 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=-1 UHF PM7
Re(V)2F11(-) (FUZJOZ)
 H=-565.0 HR=PW91D
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     2.06900200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.89045400 +1   82.6727101 +1    0.0000000 +0     1     2     0
  F     1.95346929 +1   68.1502020 +1   86.1639963 +1     1     2     3
  F     1.89046625 +1  138.6155242 +1 -124.6590395 +1     1     4     2
  F     1.89209543 +1   79.2150832 +1  -76.9518925 +1     1     2     3
  F     1.89697814 +1  149.3929388 +1  168.5866033 +1     1     2     6
 Re     2.07275090 +1  128.7985201 +1   81.9536153 +1     2     3     1
  F     1.89630091 +1  149.9211967 +1    7.7861234 +1     8     2     6
  F     1.95198887 +1   68.1213399 +1  -12.1700652 +1     8     2     9
  F     1.89095471 +1  140.2560191 +1 -121.3255608 +1     8    10     2
  F     1.89184729 +1   78.9174722 +1 -164.8429603 +1     8     2     6
  F     1.89102263 +1   84.3939280 +1   76.1776418 +1     8     2    12