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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 V_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1512.8272557; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET V	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1512.54964304; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET I_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1265.8592791; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET 7	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-1877.78424617; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS28_S29 TSS28-S29	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1394.59593581; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS28_S29 TSS28-S29_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1394.8517558; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/III III	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1007.20332418; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/III III_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1007.4349457; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/2b 2b	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-1181.34099213; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/2b 2b_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1181.4860893; Eh

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