Accuracy

te(ii)s4 (temxan10)   5775 Te(II)S4 (TEMXAN10)

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    #  Species Formula
  5765 -Te-S-(CH2)3-C3H6STe
  5766 -Te-S-(CH2)3- (Geo)C3H6STe
  5767 TeS2S2Te
  5768 TeS2 (Geo)S2Te
  5769 Te(SH)2H2S2Te
  5770 Te(SH)2 (Geo)H2S2Te
  5771 Te(II)S2 (RACNEP) (Geo)C2H6S2Te
  5772 Te(II)S2 (RACNEP)C2H6S2Te
  5773 MeOPh-Te-S-P(S)(OMe)2 (Geo)C9H13O3PS2Te
  5774 Te(II)S4 (TEMXAN10) (Geo)C4H6O2S4Te
  5775 Te(II)S4 (TEMXAN10) C4H6O2S4Te
  5776 Tellurium dichloride (Geo)Cl2Te
  5777 Tellurium dichlorideCl2Te
  5778 Te(IV)C2Cl2 (DMTECL02) (Geo)C2H6Cl2Te
  5779 Te(IV)C2Cl2 (DMTECL02)C2H6Cl2Te
  5780 Te(IV)C2Br2 (BIBBOE) (Geo)C4H8Cl2Te
  5781 Te(IV)C2Br2 (BIBBOE)C4H8Cl2Te
  5782 Te(IV)O2Cl3(-) (PORSOE) (Geo)C2H4O2Cl3Te
  5783 Te(IV)O2Cl3(-) (PORSOE)C2H4O2Cl3Te
  5784 Tellurium tetrachloride (Geo)Cl4Te
  5785 Te(IV)Cl6(2-) (BEXSEC) (Geo)Cl6Te


ΔHf: -60.7 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(II)S4 (TEMXAN10)
 H=-60.7 HR=PW91D
 Te     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.40014416 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     3.35041627 +1   61.1288440 +1    0.0000000 +0     1     2     0
  C     3.06801526 +1  123.0969984 +1   -0.2374770 +1     3     1     2
  H     6.43769744 +1   93.3670884 +1 -107.3116208 +1     1     2     3
  H     1.81115705 +1   62.8666053 +1  -44.1637908 +1     5     1     2
  H     1.80903663 +1   59.9129063 +1  -72.7994438 +1     6     5     1
  H     1.09524066 +1   77.8459222 +1  123.4817091 +1     4     3     1
  H     1.09581941 +1   78.3937390 +1  115.1254377 +1     4     3     8
  H     1.09960621 +1  162.1097815 +1  123.4340445 +1     4     3     9
  O     1.97165312 +1    4.9269802 +1  145.1920274 +1     5     1     6
  O     1.43258201 +1   60.6337089 +1 -122.7271875 +1     4     3     8
  S     2.40015569 +1   98.0857729 +1   26.4936213 +1     1     2     5
  S     2.67572427 +1  124.7372591 +1   -0.6385554 +1    11     5     1
  C     1.32292016 +1  152.1076434 +1   -0.0533874 +1    11     5    14
  C     1.09538922 +1   34.3777774 +1   32.7982865 +1     7     6     5
  C     1.32271933 +1  118.9306273 +1   -0.4426547 +1    12     4     3