Accuracy

Te4Cl16   5808 Te4Cl16

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    #  Species Formula
  5798 Tellurium tetrabromide (Geo)Br4Te
  5799 Te(IV)Br6(2-) (CIXRIK) (Geo)Br6Te
  5800 Te(IV)Br6(2-) (CIXRIK)Br6Te
  5801 TeBr6(=)Br6Te
  5802 TeBr6(=) (Geo)Br6Te
  5803 Indium(I) telluride (Geo)In2Te
  5804 Tin telluride (Geo)SnTe
  5805 Tin tellurideSnTe
  5806 Tellurium, dimer (Geo)Te2
  5807 Bis(pentafluorotellurium)oxide (Geo)OF10Te2
  5808 Te4Cl16 Cl16Te4
  5809 Te4Cl16 (Geo)Cl16Te4
  5810 Iodine, cationI
  5811 Iodine, atomI
  5812 Iodide, anionI
  5813 Hydrogen iodide (Geo)HI
  5814 Hydrogen iodideHI
  5815 Lithium iodide (Geo)LiI
  5816 Lithium iodideLiI
  5817 Beryllium iodide (Geo)BeI
  5818 Beryllium iodideBeI


ΔHf: -308.8 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.
  
 SYMMETRY PM7
Te4Cl16
 H=-308.8 HR=PW91D
 
 XX     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Te     2.84724823 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Te     2.84724823 +0  109.4712210 +0    0.0000000 +0     1     2     0
 Te     2.84724823 +0  109.4712210 +0  120.0000000 +0     1     2     3
 Te     2.84724823 +0  109.4712210 +0 -120.0000000 +0     1     2     3
 Cl     2.23260903 +1  180.0000000 +0    0.0000000 +0     1     2     3
 Cl     2.23260903 +0  180.0000000 +0    0.0000000 +0     1     3     2
 Cl     2.23260903 +0  180.0000000 +0    0.0000000 +0     1     4     2
 Cl     2.23260903 +0  180.0000000 +0    0.0000000 +0     1     5     2
 Cl     2.33966775 +1  122.7282823 +1    0.0226987 +1     2     1     3
 Cl     2.33966775 +0  122.7282823 +0  120.0312767 +1     2     1     3
 Cl     2.33966775 +0  122.7282823 +0 -119.9754318 +1     2     1     3
 Cl     2.33966775 +0  122.7282823 +0   -0.0208410 +1     3     1     2
 Cl     2.33966775 +0  122.7282823 +0  119.9804644 +1     3     1     2
 Cl     2.33966775 +0  122.7282823 +0 -120.0318028 +1     3     1     2
 Cl     2.33966775 +0  122.7282823 +0   -0.0187884 +1     4     1     2
 Cl     2.33966775 +0  122.7282823 +0  119.9819053 +1     4     1     2
 Cl     2.33966775 +0  122.7282823 +0 -120.0177467 +1     4     1     2
 Cl     2.33966775 +0  122.7282823 +0    0.0064100 +1     5     1     2
 Cl     2.33966775 +0  122.7282823 +0  120.0273857 +1     5     1     2
 Cl     2.33966775 +0  122.7282823 +0 -119.9831373 +1     5     1     2
 
   2  1    3    4    5
   6  1    7    8    9
  10  1   11   12   13   14   15   16   17   18   19   20
  10  1   21
  10  2   11   12   13   14   15   16   17   18   19   20
  10  2   21