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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1ai 1ai_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-452.7611903; Eh
	21-Jun-2019	/wB97X-D TS1-model	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LanL2DZ; 6-311G**	-1014.98638504; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/II_F_Cpstar II_F_Cpstar_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1303.289261; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_F_Cpstar_II_III TS_F_Cpstar_II_III_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1303.2572297; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/2d 2d_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-616.5227025; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S25 S25	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1510.76367060; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_CF3_Cpstar_II_III TS_CF3_Cpstar_II_III	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1540.69260690; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS22_VII TSS22-VII_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-2334.1578077; Eh
	21-Jun-2019	/wB97X-D TS3CsB-C	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LanL2DZ; 6-311G**	-1446.29430801; Eh
	21-Jun-2019	/wB97X-D TS1-pirrol	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LanL2DZ; 6-311G**	-1693.07987212; Eh

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