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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Jul-2022	/frequencies frq-OD-Cu-255-CO3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-1904.94576126; eV
	10-Jul-2022	/frequencies frq-OD-Cu-255-COH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-1892.63774485; eV
	10-Jul-2022	/frequencies frq-OD-Cu-261-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-1881.79000067; eV
	3-Mar-2022	c100_surf-peroxo-cov_075-pt_ads-xps-o29	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-535.41495621; eV
	10-Jul-2022	/frequencies frq-OD-Cu-261-OCHCH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-1910.74910392; eV
	10-Jul-2022	/frequencies frq-OD-Cu-277-H2O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-1889.27027534; eV
	10-Jul-2022	/frequencies frq-OD-Cu-261-HCOOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-1904.73384229; eV
	10-Jul-2022	/frequencies frq-OD-Cu-261-H2O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-1889.41138156; eV
	10-Jul-2022	/frequencies frq-OD-Cu-261-HCO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-1902.19308923; eV
	10-Jul-2022	/frequencies frq-OD-Cu-261-CO3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-1904.73220416; eV

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