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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Mar-2018	/Fragments-Freq C2_q0_m3-2	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-75.9381105604; Eh
	11-Mar-2018	/Fragments-Freq H4C4_q0_m3-4	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	-	-154.686579236; Eh
	11-Mar-2018	/Fragments-Freq H3C4_q0_m2-8	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	-	-154.007014076; Eh
	11-Mar-2018	/Fragments-Freq H4C4_q0_m3-3	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	-	-154.644106199; Eh
	11-Mar-2018	/Fragments-Freq H4C4_q0_m3-6	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-154.694849901; Eh
	11-Mar-2018	/Fragments-Freq CO_q0_m3-2	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-113.134185911; Eh
	11-Mar-2018	/Fragments-Freq H4C4_q0_m3-17	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-154.622390737; Eh
	11-Mar-2018	/Fragments-Freq H4C4_q0_m3-5	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-154.664680448; Eh
	11-Mar-2018	/Fragments-Freq H4C4_q0_m3-19	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-154.723602681; Eh
	11-Mar-2018	/Fragments-Freq H_q0_m2-2	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-0.502256981542; Eh

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