Accuracy

me-te-s-me   5764 Me-Te-S-Me

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    #  Species Formula
  5754 Te(VI)F7(-) (ROLSOA) (Geo)F7Te
  5755 Te(VI)F7(-) (ROLSOA)F7Te
  5756 Te(IV)C2F2 (VEJWUC) (Geo)C2F8Te
  5757 Te(IV)C2F2 (VEJWUC)C2F8Te
  5758 Al-Te, complex (Geo)AlTe
  5759 Aluminum tellurideAlTe
  5760 TeH-AlH2, complex (Geo)H3AlTe
  5761 TeF2.PF3 (Geo)F5PTe
  5762 TeF3.PF3(+) (Geo)F6PTe
  5763 Me-Te-S-Me (Geo)C2H6STe
  5764 Me-Te-S-Me C2H6STe
  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


ΔHf: -5.7 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
Me-Te-S-Me
 H=-5.7 HR=PW91D
 Te     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.39061960 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.82114507 +1  104.7596591 +1    0.0000000 +0     2     1     0
  C     2.14368989 +1   97.6887321 +1  -85.6897634 +1     1     2     3
  H     1.09479924 +1  112.1802209 +1  -60.5411682 +1     3     2     1
  H     1.09375686 +1  112.3313493 +1  122.8757650 +1     3     2     5
  H     1.09864893 +1  107.6779143 +1  118.6285188 +1     3     2     6
  H     1.08756965 +1  109.0754877 +1  -43.8871282 +1     4     1     2
  H     1.08596824 +1  109.1864803 +1  120.3502591 +1     4     1     8
  H     1.08657562 +1  108.3253072 +1  120.0128593 +1     4     1     9