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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2023	/geo_opt 3d_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1492.06583736; Eh
	2-Oct-2023	/geo_opt 3e_core_t1	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X	6-311+G(D,P)	-554.152976135; Eh
	2-Oct-2023	/functional_selection geo_opt_b3lyp_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-1589.16858890; Eh
	2-Oct-2023	/functional_selection geo_opt_camb3lyp_3b	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP	6-311+G(D,P)	-1269.32069192; Eh
	2-Oct-2023	/geo_opt 3k_prep_t1	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X	6-311+G(D,P)	-1576.65345980; Eh
	2-Oct-2023	/geo_opt 3l_prep_t1	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X	6-311+G(D,P)	-1666.62955335; Eh
	2-Oct-2023	/geo_opt 3l_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1666.66370097; Eh
	2-Oct-2023	/geo_opt 3m_prep_t1	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X	6-311+G(D,P)	-1769.36892234; Eh
	2-Oct-2023	/geo_opt 3m_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1769.40251699; Eh
	2-Oct-2023	/geo_opt 3d_core_t1	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X	6-311+G(D,P)	-798.966327834; Eh

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