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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Mar-2020	/M11_BS1_optimized_structures ga_m11_dmadprodr	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	-	6-31G(D,P) SDDALL GEN	-2965.68531764; Eh
	22-Mar-2020	/M11_BS1_optimized_structures ga_m11_dmadtsa	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	-	6-31G(D,P) SDDALL GEN	-2965.63572769; Eh
	22-Mar-2020	/wB97XD_BS1_optimized_structures w_pha	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-308.282997251; Eh
	22-Mar-2020	/PBE1PBE_BS1_optimized_structures fp_pha_ts1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2740.47677884; Eh
	22-Mar-2020	/PBE1PBE_BS1_optimized_structures fp_pha	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) GEN	-308.022007469; Eh
	22-Mar-2020	/PBE1PBE-D3(BJ)_BS1_optimized_structures ga_p0_dmadprod	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2965.15848418; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3b0_clusterf	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2432.55887222; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3b0_pha	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) GEN	-308.026361387; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3b0_adctsr	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2886.55013577; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3b0_adc	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) GEN	-453.979417252; Eh

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