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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2019	/OPTFREQ TS_A5A6	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4655.28782023; Eh
3-Oct-2019	/SPE C3P_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UM06	-	-3239.1345738; Eh
3-Oct-2019	/OPTFREQ C1P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	-	-	-3240.51254562; Eh
3-Oct-2019	/OPTFREQ TS_A4A5P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4655.25495329; Eh
3-Oct-2019	/OPTFREQ A7	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4655.29222383; Eh
3-Oct-2019	/SPE A5P_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-4653.5354939; Eh
3-Oct-2019	/OPTFREQ C3P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	-	-3240.50181365; Eh
3-Oct-2019	/SPE TS_C1C2_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UM06	-	-3239.1414102; Eh
3-Oct-2019	/OPTFREQ TS_C1C2	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	-	-	-
3-Oct-2019	/OPTFREQ TS_B3A4	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4655.23443593; Eh

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