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

tes2   5769 TeS2

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    #  Species Formula
  5759 Te(IV)C2F2 (VEJWUC)C2F8Te
  5760 Al-Te, complex (Geo)AlTe
  5761 Aluminum tellurideAlTe
  5762 TeH-AlH2, complex (Geo)H3AlTe
  5763 TeF2.PF3 (Geo)F5PTe
  5764 TeF3.PF3(+) (Geo)F6PTe
  5765 Me-Te-S-Me (Geo)C2H6STe
  5766 Me-Te-S-MeC2H6STe
  5767 -Te-S-(CH2)3-C3H6STe
  5768 -Te-S-(CH2)3- (Geo)C3H6STe
  5769 TeS2 S2Te
  5770 TeS2 (Geo)S2Te
  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


ΔHf: 18.0 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
TeS2
 H=18.0 HR=PW91D
 Te     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.30796646 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.30796646 +0  106.0445320 +1    0.0000000 +0     1     2     0