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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 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	s_C6I6+2_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBLYP	SDD 6-311+G(D,P) GEN	-296.158062966; Eh
	17-Aug-2022	D7h_s_C7Br7-_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBLYP	6-311+G(D,P)	-18285.6945484; 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
	17-Aug-2022	D7h_t_C7Br7-_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UBLYP	6-311+G(D,P)	-18285.6835400; Eh
	17-Aug-2022	s_C7Br7+3_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBLYP	6-311+G(D,P)	-18284.3982333; Eh
	17-Aug-2022	t_C7Br7+3__BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UBLYP	6-311+G(D,P)	-18284.3771105; Eh
	17-Aug-2022	C2_t_C7Br7+3_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UBLYP	6-311+G(D,P)	-18284.3770665; Eh

Results 11-20 of 102 (Search time: 0.0 seconds).