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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jun-2018	cluster-M06-L-6	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06L	SDD; 6-31G*; 6-31+G	-3839.58221330; Eh
	27-Jun-2018	cluster-M06-L-2-sp	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06L	SDD; 6-31G*; 6-31+G	-3839.63400051; Eh
	27-Jun-2018	cluster-M06-L-4	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06L	SDD; 6-31G*; 6-31+G	-3839.63421084; Eh
	27-Jun-2018	cluster-M06-L-2	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06L	SDD; 6-31G*; 6-31+G	-3839.62044252; Eh
	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-OH-freq	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UM06L	SDD 6-31G* 6-31+G* GEN*	-3081.55762053; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 M06-L-MOF	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06L	SDD 6-31G* 6-31+G* GEN*	-3005.71964111; 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-O	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06L	SDD 6-31G* 6-31+G* GEN*	-3080.90399888; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 M06-L-O-freq	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UM06L	SDD 6-31G* 6-31+G* GEN*	-3080.90399882; Eh

Results 1-10 of 12 (Search time: 0.001 seconds).