Accuracy
 me-te-s-me r 
 
  5763 Me-Te-S-Me (Geo)
  
   
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  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
 <Te-S> <><> <Te-C> GR=PW91D
 Te     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.48554300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.81894231 +1  101.2185595 +1    0.0000000 +0     2     1     0
  C     2.18009100 +1   94.4450447 +1  179.8304327 +1     1     2     3
  H     1.09542870 +1  112.1720160 +1  -62.1056536 +1     3     2     1
  H     1.09548955 +1  112.1770221 +1  122.8410416 +1     3     2     5
  H     1.09922678 +1  107.9490495 +1  118.5487675 +1     3     2     6
  H     1.08421557 +1  108.4128040 +1  -61.3394661 +1     4     1     2
  H     1.08430039 +1  108.4210710 +1  120.4126025 +1     4     1     8
  H     1.08345065 +1  107.5373553 +1  119.7706608 +1     4     1     9