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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2020	6L-red-O-site-14	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1833.32381607; eV
	5-May-2020	4T-red-O-site-7	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1844.58063445; eV
	5-May-2020	6L-red-O-site-12	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1832.17473416; eV
	5-May-2020	4T-red-O-site-8	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1846.20982419; eV
	5-May-2020	4T-red-O-site-6	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1845.36315348; eV
	5-May-2020	4R-red-H-site-3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1844.78566445; eV
	5-May-2020	4R-red-O-site-3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1846.50732641; eV
	6-Nov-2020	/Cluster-Fe-MOF-74 M06-L-OOH	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06L	SDD 6-31G* 6-31+G* GEN*	-3156.68594456; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 M06-L-MOF-freq	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06L	SDD 6-31G* 6-31+G* GEN*	-3005.71964106; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 M06-L-OH-freq	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UM06L	SDD 6-31G* 6-31+G* GEN*	-3081.55762053; Eh

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