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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/Fe4Mn1/c2 c2-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10597.6640521; Eh
	13-Dec-2023	B12I11_CH3S	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-4013.15396870; Eh
	13-Dec-2023	B12I11H_1-_R	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-3575.56565697; Eh
	8-Jan-2024	cisa	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2SVP	-2466.46094546; Eh
	28-Mar-2024	/benchmark R_b3lyp	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P)	-772.803953955; Eh
	17-May-2024	/thermal/Fe3Mn2/aa1 aa1-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10484.9626809; Eh
	17-May-2024	/thermal/Fe3Mn2/cc1 cc1-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10484.9474270; Eh
	17-May-2024	/thermal/Fe2Mn3/ac2 ac2-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10372.2451960; Eh
	17-May-2024	/thermal/Fe2Mn3/cc2 cc2-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10372.2704897; Eh
	17-May-2024	/thermal/Fe4Mn1/c1 c1-opt	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVP DEF2SVP GEN	-10597.6507030; Eh

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