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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Sep-2023	/method_selection/UVVis azapent_m06_uv_dichloromethane	Mayer, Péter	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM062X; TD-FC	6-311+G(D,P)	-592.3201301; Eh
	18-Sep-2023	/method_selection azapent_m062x	Mayer, Péter	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-592.308836155; 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 s0_energy_m062x_3b	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	GEN	-1269.6694015; 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 geo_opt_m062x_3b	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1269.52351417; 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

Results 1-10 of 36 (Search time: 0.001 seconds).