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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
28-Mar-2024	/benchmark R_b3lyp	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P)	-772.803953955; Eh
28-Mar-2024	/benchmark TS1_b3lyp	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	6-31G(D,P)	-772.778957220; Eh
28-Mar-2024	/benchmark P1_b3lyp	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P)	-772.843667149; Eh

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