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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2020	pourbaix-6L-red-sol-off	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1795.28631302; eV
	5-May-2020	freq-OCCO-symmetric-2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1872.15104435; eV
	5-May-2020	freq-OCCO-symmetric-3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1872.57769250; eV
	5-May-2020	freq-OCCO-symmetric-1	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1872.42755184; eV
	5-May-2020	freq-OCCO-asymmetric-6	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1871.28401413; eV
	5-May-2020	freq-OCCO-asymmetri-9	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1871.18521102; eV
	5-May-2020	freq-OCCO-asymmetric-3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1870.82370433; eV
	5-May-2020	freq-OCCO-asymmetric-4	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1871.69596606; eV
	5-May-2020	freq-OCCO-asymmetric-10	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1871.46897657; eV
	5-May-2020	freq-OCCO-asymmetric-5	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Frequencies	DFT	-	-1871.39798397; eV

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