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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Aug-2022	/CCSD(T)_single_point_calculations cam-b3lyp	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RCCSD	6-311+G(D,P)	-18273.2873242; Eh
	17-Aug-2022	/CCSD(T)_single_point_calculations m06-2x	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RCCSD	6-311+G(D,P)	-18273.287748; Eh
	17-Aug-2022	/CCSD(T)_single_point_calculations b3lyp	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RCCSD	6-311+G(D,P)	-18273.2888825; Eh
	17-Aug-2022	/CCSD(T)_single_point_calculations blyp	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RCCSD	6-311+G(D,P)	-18273.2881636; Eh
	17-Aug-2022	t_C7Br7-_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UBLYP	6-311+G(D,P)	-18285.7132542; Eh
	14-Feb-2023	CAM-B3LYP_complex_l132	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RCAM-B3LYP	LANL2DZ DEF2TZVP GEN	-2434.5357922; Eh
	14-Feb-2023	CAM-B3LYP_complex_l95	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RCAM-B3LYP	LANL2DZ DEF2TZVP GEN	-2355.9078095; Eh
	14-Feb-2023	B3LYP_complex_l132	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	LANL2DZ 6-311++G(D,P) GEN	-2435.3786735; Eh
	14-Feb-2023	B3LYP_complex_l95	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	LANL2DZ 6-311++G(D,P) GEN	-2356.6989743; Eh
	21-Mar-2023	/GROUP_B/Triplet 14-Pyridine_anion(4-C-1)	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UCAM-B3LYP	6-311+G(D,P)	-247.4913845; Eh

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