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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Apr-2024	tC-DEA_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd=dioxane	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-1275.1088108; Eh
	18-Apr-2024	tC-MeO_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	AUG-CC-PVDZ	-1177.0155607; Eh
	18-Apr-2024	tC-H_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	AUG-CC-PVDZ	-1062.4697626; Eh
	18-Apr-2024	tC-DEA+6H2O_tdb3_ccpVTZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	CC-PVTZ	-1734.1132297; Eh
	18-Apr-2024	tC-DEA+6H2O_tdb3_tzvp_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP; TD-FC	TZVP	-1734.0941404; Eh
	18-Apr-2024	tC-DEA+6H2O_tdb3_pc1_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP; TD-FC	GEN	-1733.368467; Eh
	18-Apr-2024	tCo-CN+8H2O_tdb3-gd3bj_ccpVTZ-augccpVTZ-ccpVQZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	CC-PVTZ AUG-CC-PVTZ CC-PVQZ	-1443.9079908; Eh
	18-Apr-2024	tCo-CN+8H2O_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP; TD-FC	CC-PVDZ AUG-CC-PVDZ	-1443.453159; Eh
	18-Apr-2024	tCo-CN+8H2O_tdb3-gd3bj_pc1_smd	Pearce, Harrison	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	RB3LYP; TD-FC	GEN	-1442.9915849; Eh
	18-Apr-2024	tC-DEA+6H2O_tdb3_augccpVDZ@ccpVDZ_smd	Pearce, Harrison	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP; TD-FC	AUG-CC-PVDZ	-1733.7866455; Eh

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