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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2019	/OPTFREQ TS_C2C3	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	UB3LYP	-	-3240.51321170; Eh
3-Oct-2019	/OPTFREQ TS_C1C2P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	-	-3240.47115297; Eh
3-Oct-2019	/OPTFREQ C3P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	-	-3240.50181365; Eh
3-Oct-2019	/OPTFREQ TS_C2C3P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	UB3LYP	-	-3240.49682731; Eh
3-Oct-2019	/OPTFREQ C2P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	-	-3240.51908980; Eh
3-Oct-2019	/OPTFREQ C2	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	-	-3240.51974548; Eh

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