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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	/functional_selection/energy_calc s0_energy_m062x_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	GEN	-1462.3428165; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_wb97xd_3f	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	GEN	-1359.7370515; Eh
	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/energy_calc s1_energy_camb3lyp_3b	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	GEN	-1269.4716798; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_camb3lyp_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	GEN	-1588.5313361; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_camb3lyp_3a	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	GEN	-1154.9466408; Eh

Results 1-10 of 98 (Search time: 0.002 seconds).