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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/3g 3g-f-anion	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	AutoAux	-2311.13914964; Eh
	10-Oct-2024	/Principal_dataset/3f 3f-f_methanol	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1968.68112856; Eh
	10-Oct-2024	/Principal_dataset/3e 3e-f-cation_methanol__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-1894.34094031; Eh
	10-Oct-2024	/Principal_dataset/3f 3f-f-cation_methanol__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-1969.48197492; Eh
	10-Oct-2024	/Principal_dataset/3e 3e-f-anion_methanol__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-1891.55064139; Eh
	10-Oct-2024	/Principal_dataset/3e 3e-f_methanol__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-1893.50244579; Eh
	10-Oct-2024	/Principal_dataset/3e 3e-f-anion__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	DFT	aug-cc-pVDZ; AutoAux	-1890.71285115; Eh
	10-Oct-2024	/Principal_dataset/3f 3f-f-cation_methanol	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1969.38978071; Eh
	10-Oct-2024	/Principal_dataset/3e 3e-f-cation_dmso	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1894.60676125; Eh
	10-Oct-2024	/Principal_dataset/3e 3e-f_dmso	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1893.76299921; Eh

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