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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 M55	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-1888.93251053; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M14	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-1888.92149150; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M76	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2519.05111851; Eh
	15-Oct-2021	/GeomOpt_PBEPBE M57	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4038129; 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	/GeomOpt_PBEPBE M63	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.4722601; Eh
	15-Oct-2021	/GeomOpt_PBEPBE M87	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1888.3899145; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M40	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2057.32656237; Eh
	15-Oct-2021	/SP_M06L_GD3_CHCl3 M63	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-1890.32829239; Eh
	15-Oct-2021	/SP_M06L_GD3_CHCl3 M28	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-1890.28114641; Eh

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