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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_SMDbenzene A13	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	LANL2MB LANL2DZ	-1086.9748163; Eh
	11-Dec-2023	/GeomOpt_OLYP_SMDbenzene P16	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	LANL2MB LANL2DZ	-469.2266167; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_22_PMe3_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	-1765.5128807; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru9_10_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	-1749.8867332; Eh
	6-Oct-2023	/GeomOpt_PBEPBE_GD3MBJ Ru26	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1532.6854014; Eh
	6-Oct-2023	/GeomOpt_PBEPBE_GD3MBJ Ru10_9A	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	GEN	-2370.97017649; Eh
	6-Oct-2023	/GeomOpt_PBEPBE_GD3MBJ propene	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-117.7389006; Eh
	11-Dec-2023	/GeomOpt_OLYP_SMDbenzene_def2TZVPP A13	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	DEF2SVPP DEF2TZVPP	-1979.0522636; Eh
	11-Dec-2023	/GeomOpt_OLYP_SMDbenzene_def2TZVPP NC1	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	DEF2SVPP DEF2TZVPP	-1418.7144365; Eh
	11-Dec-2023	/GeomOpt_OLYP_def2TZVPP As2	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	DEF2SVPP DEF2TZVPP	-3411.1285292; Eh

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