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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/II_NO2_Cpstar II_NO2_Cpstar	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1408.20271049; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S33 S33	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1099.04343646; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S34 S34	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1314.30474815; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/AgI AgI	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ GENECP	-157.233292641; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/II_NO2_Cpstar II_NO2_Cpstar_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1408.5367725; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S33 S33_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1099.2789928; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S34 S34_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1314.6061746; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/AgI AgI_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-157.2362653; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSCH2_4 TSCH2_4	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1688.41658715; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S5 S5	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1727.77865837; Eh

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