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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
10-Nov-2022	TS1	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1222.04045268; Eh
10-Nov-2022	3	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-1222.09902060; Eh
10-Nov-2022	1A	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-1353.64779350; Eh
10-Nov-2022	4A_	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-2188.04379115; Eh
10-Nov-2022	TS4A	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2070.02878958; Eh
10-Nov-2022	R2-PdL2	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2097.30432253; Eh
10-Nov-2022	5	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-1335.45218513; Eh
10-Nov-2022	5-7b	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4496.24369569; Eh
10-Nov-2022	3-7b	Liu, Lin	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4382.87189070; Eh
10-Nov-2022	TS16	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-4496.24977409; Eh

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