Accuracy

Re(V)O2Cl4(-) (FOAMDS10)   7476 Re(V)O2Cl4(-) (FOAMDS10)

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    #  Species Formula
  7466 Re(III)(Cp)2Cl (JIPVAF) (Geo)C10H10ClRe
  7467 Re(III)(Cp)2Cl (JIPVAF)C10H10ClRe
  7468 Re(VII)N2O3Cl (FOJNEX) (Geo)C12H8N2O3ClRe
  7469 Re(VII)N2O3Cl (FOJNEX)C12H8N2O3ClRe
  7470 Re(CO)5Cl (FOHCAG) (Geo)C5O5ClRe
  7471 Re(CO)5Cl (FOHCAG)C5O5ClRe
  7472 Re(III)P4Cl2(+) (DAKJII) (Geo)C12H32P4Cl2Re
  7473 Rhenium(III) trichloride (Geo)Cl3Re
  7474 Rhenium(III) trichlorideCl3Re
  7475 Re(V)O2Cl4(-) (FOAMDS10) (Geo)H2O2Cl4Re
  7476 Re(V)O2Cl4(-) (FOAMDS10) H2O2Cl4Re
  7477 Re(IV)O2Cl4 (JOXLEN) (Geo)C4H10O2Cl4Re
  7478 Re(IV)O2Cl4 (JOXLEN)C4H10O2Cl4Re
  7479 Re(IV)Cl5C(-) (BACMIR) (Geo)C2H3NCl5Re
  7480 Re(IV)Cl5C(-) (BACMIR)C2H3NCl5Re
  7481 Re(iv)Cl5(Py) anion (Geo)C5H5NCl5Re
  7482 Re(IV)NCl5(-) (AKINUD) (Geo)C5H5NCl5Re
  7483 Re(IV)NCl5(-) (AKINUD)C5H5NCl5Re
  7484 Re(IV)Cl6(2-) (AYOLUV) (Geo)Cl6Re
  7485 Re(IV)Cl6(2-) (AYOLUV)Cl6Re
  7486 Rhenium(I) bromide (Geo)BrRe


ΔHf: -180.2 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=-1 UHF PM7
Re(V)O2Cl4(-) (FOAMDS10)
 H=-180.2 HR=PW91D
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.67971613 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.38017311 +1  108.3230073 +1    0.0000000 +0     1     2     0
  O     2.48759749 +1   71.5287319 +1 -176.6051537 +1     1     3     2
  H     0.96755650 +1  114.7261011 +1  151.5198941 +1     4     1     3
  H     0.96810007 +1  114.8489771 +1 -124.6404435 +1     4     1     5
 Cl     2.36397162 +1  106.8403674 +1  -90.5931885 +1     1     2     3
 Cl     2.39149541 +1  106.8420519 +1 -179.9324211 +1     1     2     7
 Cl     2.37747229 +1  108.2633856 +1   89.3588829 +1     1     2     8