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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 HSE03-13-OH-freq	Morales, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UOHSE2PBE	SDD 6-31G* 6-31+G* GEN*	-3081.41083631; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 HSE03-13-O-freq	Morales, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UOHSE2PBE	SDD 6-31G* 6-31+G* GEN*	-3080.74648537; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 B3LYP-15-OH-freq	Morales, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UB3LYP	SDD 6-31G* 6-31+G* GEN*	-3080.12809963; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 B3LYP-15-MOF-freq	Morales, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UB3LYP	SDD 6-31G* 6-31+G* GEN*	-3004.33265666; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 M06-L-H₂-freq	Morales, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RM06L	6-31G* GEN*	-1.17026402278; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 PBE-H₂-freq	Morales, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RPBEPBE	6-31G* GEN*	-1.16466336002; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 HSE03-13-H₂-freq	Morales, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	ROHSE2PBE	6-31G* GEN*	-1.17693814700; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 B3LYP-15-H₂-freq	Morales, 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-freq	Morales, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RB3LYP	6-31G* GEN*	-1.17853936907; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 HSE03-H₂-freq	Morales, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	ROHSE2PBE	6-31G* GEN*	-1.18761439561; Eh

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