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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-H₂O-freq	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	ROHSE2PBE	6-31G* 6-31+G* GEN*	-76.4641418859; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 HSE03-H₂O-solv	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ROHSE2PBE	6-31G* 6-31+G* GEN*	-76.4782708; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 HSE03-H₂O	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	ROHSE2PBE	6-31G* 6-31+G* GEN*	-76.4641418859; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 HSE03-H₂	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	ROHSE2PBE	6-31G* GEN*	-1.18761439562; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 HSE03-H₂-freq	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	ROHSE2PBE	6-31G* GEN*	-1.18761439561; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 HSE03-13-H₂O-solv	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ROHSE2PBE	6-31G* 6-31+G* GEN*	-76.4267492; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 HSE03-13-H₂O-freq	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	ROHSE2PBE	6-31G* 6-31+G* GEN*	-76.4128444707; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 HSE03-13-H₂-freq	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	ROHSE2PBE	6-31G* GEN*	-1.17693814700; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 HSE03-13-H₂O	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	ROHSE2PBE	6-31G* 6-31+G* GEN*	-76.4128444707; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 HSE03-13-H₂	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	ROHSE2PBE	6-31G* GEN*	-1.17693814700; Eh

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