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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Dec-2023	/GeomOpt_OLYP_def2TZVPP H3	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	DEF2SVPP DEF2TZVPP	-1281.1095088; Eh
	11-Dec-2023	/GeomOpt_OLYP_def2TZVPP P16	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	DEF2SVPP DEF2TZVPP	-1695.9359923; Eh
	11-Dec-2023	/GeomOpt_OLYP_def2TZVPP P4	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	DEF2SVPP DEF2TZVPP	-1751.7938004; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_21_PMe3_PR2	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; ROLYP; RB3LYP	LANL2MB LANL2DZ LANL2DZ/AUTO GENECP	-1828.1987505; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_8_H2O_PR2	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP; RB3LYP	LANL2MB LANL2DZ LANL2DZ/AUTO GENECP	-2155.4938285; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_8_PMe3_PR2	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	ROLYP; RB3LYP	LANL2DZ LANL2DZ/AUTO GENECP	-2205.3519148; Eh
	6-Oct-2023	/GeomOpt_PBEPBE_GD3MBJ Ru10_9B	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	GEN	-2370.96955622; Eh
	6-Oct-2023	/SP_PBEPBE_GD3MBJ_C6H6 Ru12_9	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-2771.96860569; Eh
	6-Oct-2023	/SP_PBEPBE_GD3MBJ_C6H6 styrene	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GEN	-309.381907183; Eh
	11-Dec-2023	/GeomOpt_OLYP_SMDbenzene_def2TZVPP P8	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	DEF2SVPP DEF2TZVPP	-2091.2033538; Eh

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