File: tes2.mop

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mopac 23.1.2-1
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*    33.056
*
 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
 
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