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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Oct-2024	/Principal_dataset/3l 3l-f-anion__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	DFT	aug-cc-pVDZ; AutoAux	-1962.48859899; Eh
	10-Oct-2024	/Principal_dataset/3l 3l-f-cation_dmso	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1966.38001814; Eh
	10-Oct-2024	/Principal_dataset/3l 3l-f-anion_dmso	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1963.57753377; Eh
	10-Oct-2024	/Principal_dataset/3l 3l-f_methanol	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1965.54570111; Eh
	10-Oct-2024	/Principal_dataset/3l 3l-f-cation	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1966.02507590; Eh
	10-Oct-2024	/Principal_dataset/3l 3l-f_dmso	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1965.54678162; Eh
	10-Oct-2024	/Principal_dataset/3l 3l-f-cation_methanol__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-1966.09048746; Eh
	10-Oct-2024	/Principal_dataset/3k 3k-f-cation_methanol__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-1852.86440985; Eh
	10-Oct-2024	/Principal_dataset/3l 3l-f-cation_dmso__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-1966.09346849; Eh
	10-Oct-2024	/Principal_dataset/3k 3k-f_dmso__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-1852.02963104; Eh

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