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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Oct-2022	/template-1/ts1/c7 ts1c6_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN	-2781.39301891; Eh
	5-Oct-2022	/template-1/ts1/c5 ts1_FBINIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-2781.39414503; Eh
	5-Oct-2022	/template-1/ts1/c3 ts1c3_FBININ_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN	-2781.39426403; Eh
	5-Oct-2022	/template-1/ts1/c4 ts1c4_FFINIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN DEF2TZVPP	-2784.4777618; Eh
	5-Oct-2022	/template-1/ts1/c4 ts1c4_FFIAIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN DEF2TZVPP	-2784.4770445; Eh
	5-Oct-2022	/template-1/ts1/c4 ts1c4_BFOAIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-2781.39092810; Eh
	5-Oct-2022	/template-1/ts1/c3 ts1c3_14crest	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-2781.39859819; Eh
	5-Oct-2022	/template-1/ts1/c3 ts1c3_3crest	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-2781.39512945; Eh
	5-Oct-2022	/template-1/ts1/c3 ts1c3_BFOAIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN	-2781.40141296; Eh
	5-Oct-2022	/template-1/ts1/c3 ts1c3_FFINIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN DEF2TZVPP	-2784.477537; Eh

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