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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2019	/OPTFREQ A5	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4655.31768091; Eh
3-Oct-2019	/OPTFREQ B2	Artigas, Albert	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4655.26763460; Eh
3-Oct-2019	/OPTFREQ C2	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	-	-3240.51974548; Eh
3-Oct-2019	/OPTFREQ A1	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-2368.78402958; Eh
2-Aug-2023	hbtp_scholl_pp_opt	Artigas, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP	-1612.15474067; Eh
2-Aug-2023	hbtp_scholl_pm_opt	Artigas, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP	-1612.15052890; Eh
2-Aug-2023	hbtp_ox_p_opt	Artigas, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP	-1688.45806394; Eh

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