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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 C4H4O_q0_m1-17	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	RB3LYP	-	-230.049848322; 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 C4H4O_q0_m1-9	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	RB3LYP	-	-229.996528943; 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 C4O_q0_m1-5	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	RB3LYP	-	-227.450110519; Eh
	11-Mar-2018	/Fragments-Freq C2O_q0_m1-3	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	RB3LYP	-	-151.234673377; 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

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