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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2019	PRODUCT_56f_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Minimum	UB3LYP	-	-2785.28238905; Eh
3-Oct-2019	/OPTFREQ A9	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Minimum	RB3LYP	-	-3240.58407820; Eh
9-Feb-2023	Compound5_1Li	montilla, marc	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	RB3LYP	DEF2SVP	-3866.97828165; Eh
23-Apr-2022	C6F5Cl_D	Iglesias-Reguant, Alex	Gaussian; 16; EM64L-G16RevC.01	Single point Minimum	-	AUG-CC-PVDZ GEN	-2507.49116240; Eh
23-Apr-2022	C6F5Br_D	Iglesias-Reguant, Alex	Gaussian; 16; EM64L-G16RevC.01	Single point Minimum	-	AUG-CC-PVDZ GEN	-2464.66539231; Eh
23-Apr-2022	C6F5I_D	Iglesias-Reguant, Alex	Gaussian; 16; EM64L-G16RevC.01	Single point Minimum	-	AUG-CC-PVDZ GEN	-2342.37484654; Eh
10-May-2023	pyr-C6F5Br	Iglesias-Reguant, Alex	Gaussian; 16; EM64L-G16RevC.01	Single point Minimum	RMP2-Full	AUG-CC-PVDZ GEN	-1386.62572220; Eh
10-May-2023	C6F5Cl	Iglesias-Reguant, Alex	Gaussian; 16; EM64L-G16RevC.01	Single point Minimum	RMP2-Full	AUG-CC-PVDZ GEN	-1183.91786982; Eh
10-May-2023	C6F5I	Iglesias-Reguant, Alex	Gaussian; 16; EM64L-G16RevC.01	Single point Minimum	RMP2-Full	AUG-CC-PVDZ GEN	-1019.06576595; Eh
10-May-2023	HCN-HCN	Iglesias-Reguant, Alex	Gaussian; 16; EM64L-G16RevC.01	Single point Minimum	RMP2-Full	AUG-CC-PVTZ GEN	-185.821946199; Eh

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