Accuracy

Re(IV)Cl5C(-) (BACMIR)   7480 Re(IV)Cl5C(-) (BACMIR)

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  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
  7487 Rhenium(I) bromideBrRe
  7488 Dimethyl rhenium bromideC2H6BrRe
  7489 Dimethyl rhenium bromide (Geo)C2H6BrRe
  7490 Rhenium(III) oxide bromide (Geo)OBrRe


ΔHf: -65.4 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(IV)Cl5C(-) (BACMIR)
 H=-65.4 HR=PW91D
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.36241704 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.03188884 +1   80.7297936 +1    0.0000000 +0     1     2     0
 Cl     2.31028861 +1   92.7715666 +1  152.6962418 +1     1     2     3
 Cl     2.34376483 +1   88.1135937 +1  136.9098791 +1     1     2     4
 Cl     2.34660528 +1   91.9382896 +1  137.6528368 +1     1     2     5
  N     1.16525784 +1  124.2660966 +1  179.9098284 +1     3     2     1
  C     1.40887673 +1  179.6972274 +1  -29.8698938 +1     7     3     6
  H     1.11066057 +1  110.6769292 +1 -154.1053476 +1     8     7     2
  H     1.11085623 +1  110.6657160 +1  119.9306100 +1     8     7     9
  H     1.11105255 +1  110.6646646 +1  120.0305970 +1     8     7    10
 Cl     2.35418332 +1  167.3954014 +1  -87.3113482 +1     1     2     6