File: srcl2r.mop

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*  -297.363
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 SYMMETRY PM7
Strontium dichloride
 <Sr-Cl> GR=MH1988 <Cl-Sr-Cl> GWT=0.5
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Sr     2.61600000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.61600000 +0  120.0000000 +1    0.0000000 +0     2     1     0
 
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