PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

te(iv)c2cl2 (dmtecl02)   5781 Te(IV)C2Cl2 (DMTECL02)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  5771 Te(SH)2H2S2Te
  5772 Te(SH)2 (Geo)H2S2Te
  5773 Te(II)S2 (RACNEP) (Geo)C2H6S2Te
  5774 Te(II)S2 (RACNEP)C2H6S2Te
  5775 MeOPh-Te-S-P(S)(OMe)2 (Geo)C9H13O3PS2Te
  5776 Te(II)S4 (TEMXAN10) (Geo)C4H6O2S4Te
  5777 Te(II)S4 (TEMXAN10)C4H6O2S4Te
  5778 Tellurium dichloride (Geo)Cl2Te
  5779 Tellurium dichlorideCl2Te
  5780 Te(IV)C2Cl2 (DMTECL02) (Geo)C2H6Cl2Te
  5781 Te(IV)C2Cl2 (DMTECL02) C2H6Cl2Te
  5782 Te(IV)C2Br2 (BIBBOE) (Geo)C4H8Cl2Te
  5783 Te(IV)C2Br2 (BIBBOE)C4H8Cl2Te
  5784 Te(IV)O2Cl3(-) (PORSOE) (Geo)C2H4O2Cl3Te
  5785 Te(IV)O2Cl3(-) (PORSOE)C2H4O2Cl3Te
  5786 Tellurium tetrachloride (Geo)Cl4Te
  5787 Te(IV)Cl6(2-) (BEXSEC) (Geo)Cl6Te
  5788 Te(IV)Cl6(2-) (BEXSEC)Cl6Te
  5789 Zinc tellurideZnTe
  5790 Germanium telluride (Geo)GeTe
  5791 Arsenic tellurideAsTe


ΔHf: -58.8 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
Te(IV)C2Cl2 (DMTECL02)
 H=-58.8 HR=PW91D
 Te     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.13927187 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.13920947 +1   98.2311183 +1    0.0000000 +0     1     2     0
 Cl     2.47693769 +1   85.0320353 +1   85.0116855 +1     1     2     3
 Cl     2.47758328 +1   86.3839130 +1 -169.9797650 +1     1     2     4
  H     1.09273479 +1  110.8872147 +1 -140.8432536 +1     2     1     3
  H     1.09223980 +1  110.8318993 +1  118.8889383 +1     2     1     6
  H     1.09472884 +1  111.2234363 +1  120.1333086 +1     2     1     7
  H     1.09409764 +1  111.0313954 +1  116.8614107 +1     3     1     2
  H     1.09147879 +1  110.8901482 +1 -119.6201112 +1     3     1     9
  H     1.09404413 +1  111.0048122 +1 -119.3590505 +1     3     1    10