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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-May-2024	/electro-Sn/Fe3Mn2/S0 S0-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10484.9558723; Eh
	18-May-2024	/electro-Sn/Fe5Mn0/S2 S2-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVP DEF2SVP GEN	-10709.4419035; Eh
	18-May-2024	/electro-Sn/Fe5Mn0/S3 S3-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UB3LYP	DEF2TZVP DEF2SVP GEN	-10708.8494733; Eh
	18-May-2024	/electro-Sn/Fe5Mn0/S1 S1-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10709.9244517; Eh
	18-May-2024	/electro-Sn/Fe5Mn0/S4 S4-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	GEN	-10708.1715279; Eh
	31-May-2024	C6H6OH-m-H+-syn-H2O	Løyland, Sverre	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	AUG-CC-PVTZ	-384.380487740; Eh
	31-May-2024	C6H6OH-o_m-H+-syn-H2O	Løyland, Sverre	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	AUG-CC-PVTZ	-384.364374648; Eh
	31-May-2024	C6H6OH-o-H+-syn-H2O	Løyland, Sverre	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	AUG-CC-PVTZ	-384.403199081; Eh
	31-May-2024	C6H5OH-i_o-H+	Løyland, Sverre	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	AUG-CC-PVTZ	-307.865093447; Eh
	31-May-2024	C6H5OH-m_p-H+	Løyland, Sverre	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	AUG-CC-PVTZ	-307.876594617; Eh

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