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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2023	/functional_selection/energy_calc s1_energy_camb3lyp_3f	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	GEN	-1359.4778724; Eh
	2-Oct-2023	/functional_selection geo_opt_b3lyp_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-1462.77698922; Eh
	2-Oct-2023	/geo_opt 3f_prep_t1	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X	6-311+G(D,P)	-1359.46867584; 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 3b_prep_t1	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X	6-311+G(D,P)	-1269.49258896; Eh
	2-Oct-2023	/geo_opt 3i_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1875.60924117; Eh
	2-Oct-2023	/geo_opt 3b_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1269.52351417; Eh
	2-Oct-2023	/geo_opt 3j_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1462.17367844; Eh
	2-Oct-2023	/geo_opt 3a_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1155.01200112; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_wb97xd_3b	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	GEN	-1269.7441809; Eh

Results 1-10 of 98 (Search time: 0.001 seconds).