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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_b3lyp_3f	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP; TD-FC	GEN	-1360.2159832; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_b3lyp_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP; TD-FC	GEN	-1589.3583901; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_b3lyp_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP; TD-FC	GEN	-1462.947589; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_b3lyp_3a	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP; TD-FC	GEN	-1155.6225495; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_b3lyp_3b	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP; TD-FC	GEN	-1270.1917546; Eh
	18-Apr-2024	tCo-MeO+4dioxane_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-2084.9407963; Eh
	18-Apr-2024	tCo-Cl_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	AUG-CC-PVDZ	-1199.0984875; Eh
	18-Apr-2024	thymine_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	AUG-CC-PVDZ	-454.2543316; Eh
	18-Apr-2024	uracil_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	AUG-CC-PVDZ	-414.927635; Eh
	18-Apr-2024	tC-MeO_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd=dioxane	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-1177.0058375; Eh

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