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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 H3CO_q0_m2-2	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	-	-115.102534852; Eh
	11-Mar-2018	/Fragments-Freq H4C4_q0_m3-10	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	-	-154.577184991; Eh
	11-Mar-2018	/Fragments-Freq H3C4_q0_m4-7	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-153.976098768; Eh
	11-Mar-2018	/Fragments-Freq H2C3_q0_m3-2	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-115.277440462; Eh
	11-Mar-2018	/Fragments H3C4_q0_m4-4	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	-	-153.958115177; Eh
	11-Mar-2018	/Fragments-Freq H3C4_q0_m4-8	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-153.952645742; Eh
	11-Mar-2018	/Fragments-Freq H4C3O_q0_m3-2	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	-	-191.850119917; Eh
	11-Mar-2018	/Fragments-Freq HC4O_q0_m2-1	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	-	-227.978373986; Eh
	11-Mar-2018	/Fragments-Freq H3C4_q0_m4-6	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	-	-153.939684689; Eh
	11-Mar-2018	/Fragments-Freq H4C3_q0_m3-7	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-116.612282896; Eh

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