Accuracy

sn(iv)o2cl4 (cimwie)   5579 Sn(IV)O2Cl4 (CIMWIE)

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

   

    #  Species Formula
  5569 Sn(IV)S4Cl2 (CIHDEC)C6H10O2S4Cl2Sn
  5570 Sn(II)Cl3(-) (BITXUX) (Geo)Cl3Sn
  5571 Sn(II)Cl3(-) (BITXUX)Cl3Sn
  5572 Methyltin trichlorideCH3Cl3Sn
  5573 Ethyltin trichlorideC2H5Cl3Sn
  5574 Tin tetrachloride (Geo)Cl4Sn
  5575 Tin tetrachlorideCl4Sn
  5576 Sn(IV)Cl4C2(2-) (ARAWAR) (Geo)C12H10Cl4Sn
  5577 Sn(IV)Cl4C2(2-) (ARAWAR)C12H10Cl4Sn
  5578 Sn(IV)O2Cl4 (CIMWIE) (Geo)H4O2Cl4Sn
  5579 Sn(IV)O2Cl4 (CIMWIE) H4O2Cl4Sn
  5580 Sn(IV)Cl6(2-) (AMCLSN10) (Geo)Cl6Sn
  5581 Sn(IV)Cl6(2-) (AMCLSN10)Cl6Sn
  5582 GeH3-SnH3 (Geo)H6GeSn
  5583 GeMe3-SnMe3C6H18GeSn
  5584 Tin selenide (Geo)SeSn
  5585 Tin selenideSeSn
  5586 Tin bromideBrSn
  5587 Tin bromide trihydride (Geo)H3BrSn
  5588 Trimethyltin bromide (Geo)C3H9BrSn
  5589 Trimethyltin bromideC3H9BrSn


ΔHf: -229.2 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.
  
 PM7
Sn(IV)O2Cl4 (CIMWIE)
 H=-229.2 HR=PW91D
 Sn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.31700034 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.36112059 +1  104.7112869 +1    0.0000000 +0     1     2     0
 Cl     2.33558069 +1   76.2217568 +1  -69.7584411 +1     1     2     3
 Cl     2.33253484 +1  177.4509767 +1 -102.4794529 +1     1     2     4
  H     0.96713088 +1  124.1061611 +1    2.4194459 +1     2     1     3
  H     0.97149550 +1  121.0539632 +1 -145.6430932 +1     2     1     6
  H     0.97434224 +1  118.5031927 +1 -117.4999261 +1     3     1     2
  H     0.97431996 +1  118.4450801 +1 -130.5950054 +1     3     1     8
 Cl     2.34722212 +1   76.5201676 +1   71.8615875 +1     1     2     6
 Cl     2.32756450 +1   77.8768329 +1  108.1929423 +1     1     2    10