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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2024	ar3no2_cat	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1181.23526798; Eh
	28-Aug-2024	ar3m2_rad	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D)	-1345.62485505; Eh
	4-Feb-2026	NICS1-5_cop3p5_TPSShD4	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-qzvppd; def2/J	-4114.32774387190148; Eh
	4-Feb-2026	NICS1-5_cop3p5_PBE0D4	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-qzvppd; def2/J	-4112.89058356258920; Eh
	4-Feb-2026	NICS1-5_cop3p5_B3LYPD4	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-qzvppd; def2/J	-4113.71431918180224; Eh
	4-Feb-2026	NICS1-5_p3opt_PBE0D4	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-qzvppd; def2/J	-1023.52170605404001; Eh
	4-Feb-2026	NICS2_cop3p5_TPSShD4	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-qzvppd; def2/J	-4114.32775984138334; Eh
	4-Feb-2026	NICS2_cop3p5_PBE0D4	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-qzvppd; def2/J	-4112.89059851541879; Eh
	4-Feb-2026	NICS2_cop3p5_B3LYPD4	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-qzvppd; def2/J	-4113.71433936681933; Eh
	4-Feb-2026	NICS1-5_p3_PBE0D4	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-qzvppd; def2/J	-1023.51786351660564; Eh

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