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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Mar-2020	/M06_BS1_optimized_structures m06_pha_ts1a	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31G(D,P) SDDALL GEN	-2741.23843178; Eh
	22-Mar-2020	/M062X_BS1_optimized_structures m062_pha_ts1a	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM062X	6-31G(D,P) SDDALL GEN	-2741.18617562; Eh
	22-Mar-2020	/M062X_BS1_optimized_structures ga_m062x_dmadtsarr	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM062X	6-31G(D,P) SDDALL GEN	-2965.80086548; Eh
	22-Mar-2020	/M06HF_BS1_optimized_structures m06hf_pha_ts1ar	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06HF	6-31G(D,P) SDDALL GEN	-2741.11788504; Eh
	22-Mar-2020	/M06HF_BS1_optimized_structures hfga_m06_dmadts	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06HF	6-31G(D,P) SDDALL GEN	-2965.70186498; Eh
	22-Mar-2020	/M11_BS1_optimized_structures m11_pha_ts1A	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	-	6-31G(D,P) SDDALL GEN	-2740.98946247; 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	/B97D3_BS1_optimized_structures b97d3_pha_ts1ai19r	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB97D3	6-31G(D,P) SDDALL GEN	-2742.39912269; Eh
	22-Mar-2020	/B97D3_BS1_optimized_structures ga_b97d3_tsdmad	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB97D3	6-31G(D,P) SDDALL GEN	-2966.97896887; Eh
	22-Mar-2020	/wB97XD_BS1_optimized_structures w_pha_ts1	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RwB97XD	6-31G(D,P) SDDALL GEN	-2741.99155410; Eh

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