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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Jun-2019	/OPTFREQ TS_C1A2	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-3674.19607774; Eh
12-Jun-2019	/SPE TS_C1A2	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-3674.5170916; Eh
12-Jun-2019	/OPTFREQ TS_A53AA_EXO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	-	-1530.98246498; Eh
12-Jun-2019	/SPE TS_A53AA_EXO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	-	-1531.1542308; Eh
12-Jun-2019	/OPTFREQ TS_A4PA5P_EXO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4020.16364419; Eh
12-Jun-2019	/SPE TS_A3PPA4P_EXO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5277898; Eh
12-Jun-2019	/SPE TS_A4PA5P_EXO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5206297; Eh
12-Jun-2019	/SPE TS_A4A5P_EXO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.4625117; Eh
12-Jun-2019	/SPE TS_A3A4P_EXO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.4308984; Eh
12-Jun-2019	/SPE TS_A3PPA4P_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5075446; Eh

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