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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	/SPE TS_A1A2_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-2368.2129758; Eh
3-Oct-2019	/OPTFREQ TS_C2C3	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	UB3LYP	-	-3240.51321170; 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_C1C2P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	-	-3240.47115297; Eh
3-Oct-2019	/SPE TS_C3A9_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	-	-3239.1720327; Eh
3-Oct-2019	/OPTFREQ TS_A5PA5	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4655.26917919; Eh

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