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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-May-2024	/thermal/Fe1Mn4/a3 a3-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10259.5686215; Eh
	17-May-2024	/thermal/Fe1Mn4/a1 a1-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10259.5524388; Eh
	17-May-2024	/thermal/Fe1Mn4/a2 a2-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10259.5176086; Eh
	18-May-2024	/electro-Sn/Fe2Mn3/S4-2H S4-2H-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10370.1090800; Eh
	18-May-2024	/electro-Sn/Fe2Mn3/S3H-2G S3H-2G-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10370.7760225; Eh
	18-May-2024	/electro-Sn/Fe2Mn3/S3-2F S3-2F-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10370.7815077; Eh
	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

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