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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Sep-2023	WD-PO4-PBE0-SFC-OPT	Malcolm, Daniel	AMS; 2021.106; r99350	Geometry optimization	PBE0 == Not Default ==	-	-934.117514; eV

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