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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M68	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2542.25694844; Eh
	15-Oct-2021	/GeomOpt_PBEPBE M55	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4214937; Eh
	15-Oct-2021	/GeomOpt_PBEPBE M68	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2541.4501743; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M12	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2057.30562035; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M43	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2080.52538161; Eh
	15-Oct-2021	/GeomOpt_PBEPBE M25	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4302385; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M80	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2542.25573069; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M63	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-1888.97232626; Eh
	15-Oct-2021	/GeomOpt_PBEPBE M8	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBEPBE	GEN	-2438.01956992; Eh
	15-Oct-2021	/SP_M06L_GD3_CHCl3 M24	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-2082.05512933; Eh

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