loos/srDFT_G2
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srDFT_G2/Ref/Molecules/g09/VTZ/S2.xyz
Pierre-Francois Loos 6583b8441d VDZ and VTZ
2019-03-26 11:00:25 +01:00

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0,3
S
S,1,R
R=1.91215538
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