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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Oct-2021	/GeomOpt_PBEPBE M32	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-2079.91480439; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 ethylene	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-78.5076657138; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M5	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2630.33054681; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M6	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2438.74820463; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M23	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2080.49873775; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M22	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-1888.95044807; Eh
	15-Oct-2021	/GeomOpt_PBEPBE M33	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-2079.91535337; Eh
	15-Oct-2021	/GeomOpt_PBEPBE M31	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GEN	-2056.74014431; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M4	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2607.12064665; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M17	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2080.50268150; Eh

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