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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2019	/OPTFREQ TS_A6A7	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4655.27071527; Eh
3-Oct-2019	/OPTFREQ A8	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4655.32807946; Eh
3-Oct-2019	/OPTFREQ A9	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Minimum	RB3LYP	-	-3240.58407820; Eh
3-Oct-2019	/OPTFREQ C60	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-2286.42775672; Eh
3-Oct-2019	/OPTFREQ A4	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4655.28153198; Eh
3-Oct-2019	/OPTFREQ TS_A5PA5	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4655.26917919; Eh
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	/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	/OPTFREQ TS_B3A4	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4655.23443593; Eh

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