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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Nov-2020	/Cluster-Fe-MOF-74 B3LYP-H₂O	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G* 6-31+G* GEN*	-76.4331284690; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 B3LYP-H₂O-freq	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RB3LYP	6-31G* 6-31+G* GEN*	-76.4331284690; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 B3LYP-H₂O-solv	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G* 6-31+G* GEN*	-76.4470812; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 B3LYP-15-H₂O-solv	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G* 6-31+G* GEN*	-76.4061354; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 B3LYP-15-H₂	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G* GEN*	-1.17399895397; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 B3LYP-H₂-freq	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RB3LYP	6-31G* GEN*	-1.17853936907; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 B3LYP-15-H₂O-freq	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RB3LYP	6-31G* 6-31+G* GEN*	-76.3922098093; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 B3LYP-15-H₂O	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G* 6-31+G* GEN*	-76.3922098093; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 B3LYP-15-H₂-freq	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RB3LYP	6-31G* GEN*	-1.17399895401; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 B3LYP-H₂	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G* GEN*	-1.17853936889; Eh

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