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

Te4Cl16r   5811 Te4Cl16 (Geo)

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    #  Species Formula
  5801 Te(IV)Br6(2-) (CIXRIK) (Geo)Br6Te
  5802 Te(IV)Br6(2-) (CIXRIK)Br6Te
  5803 TeBr6(=)Br6Te
  5804 TeBr6(=) (Geo)Br6Te
  5805 Indium(I) telluride (Geo)In2Te
  5806 Tin telluride (Geo)SnTe
  5807 Tin tellurideSnTe
  5808 Tellurium, dimer (Geo)Te2
  5809 Bis(pentafluorotellurium)oxide (Geo)OF10Te2
  5810 Te4Cl16Cl16Te4
  5811 Te4Cl16 (Geo) Cl16Te4
  5812 Iodine, cationI
  5813 Iodine, atomI
  5814 Iodide, anionI
  5815 Hydrogen iodide (Geo)HI
  5816 Hydrogen iodideHI
  5817 Lithium iodide (Geo)LiI
  5818 Lithium iodideLiI
  5819 Beryllium iodide (Geo)BeI
  5820 Beryllium iodideBeI
  5821 Iodomethane (Geo)CH3I


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
 <XX-Te> <XX-Cl> GR=PW91D GWT=0.25
 XX     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Te     2.78000000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Te     2.78000000 +0  109.4712210 +0    0.0000000 +0     1     2     0
 Te     2.78000000 +0  109.4712210 +0  120.0000000 +0     1     2     3
 Te     2.78000000 +0  109.4712210 +0 -120.0000000 +0     1     2     3
 Cl     2.40000000 +1  180.0000000 +0    0.0000000 +0     1     2     3
 Cl     2.40000000 +0  180.0000000 +0    0.0000000 +0     1     3     2
 Cl     2.40000000 +0  180.0000000 +0    0.0000000 +0     1     4     2
 Cl     2.40000000 +0  180.0000000 +0    0.0000000 +0     1     5     2
 Cl     2.33272973 +1  122.5720193 +1    0.0154139 +1     2     1     3
 Cl     2.33272973 +0  122.5720193 +0  120.0245098 +1     2     1     3
 Cl     2.33272973 +0  122.5720193 +0 -119.9822325 +1     2     1     3
 Cl     2.33272973 +0  122.5720193 +0   -0.0205355 +1     3     1     2
 Cl     2.33272973 +0  122.5720193 +0  119.9802364 +1     3     1     2
 Cl     2.33272973 +0  122.5720193 +0 -120.0326437 +1     3     1     2
 Cl     2.33272973 +0  122.5720193 +0   -0.0138554 +1     4     1     2
 Cl     2.33272973 +0  122.5720193 +0  119.9866406 +1     4     1     2
 Cl     2.33272973 +0  122.5720193 +0 -120.0145712 +1     4     1     2
 Cl     2.33272973 +0  122.5720193 +0    0.0020402 +1     5     1     2
 Cl     2.33272973 +0  122.5720193 +0  120.0213928 +1     5     1     2
 Cl     2.33272973 +0  122.5720193 +0 -119.9879351 +1     5     1     2