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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-fZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2448.3809682; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS30_S31 TSS30-S31	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1768.87865481; Eh
	9-Nov-2018	/noDisp/complexes sin-h2oircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-980.3032279; Eh
	9-Nov-2018	/noDisp/complexes sin-h2oauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-555.1497565; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1854.9993665; Eh
	9-Nov-2018	/noDisp/complexes sin-fpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-571.0183685; Eh
	9-Nov-2018	/vacuum/complexes xeagnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-388.575823664; Eh
	9-Nov-2018	/noDisp/complexes sin-fticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1539.0483896; Eh
	9-Nov-2018	/noDisp/complexes sin-fmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-429.7992354; Eh
	9-Nov-2018	/vacuum/complexes xeaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1531.91563367; Eh

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