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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Jan-2026	SP_TSCD18	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1083.90918544345186; Eh
	28-Jan-2026	SP_TSCD14	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1154.46101196737118; Eh
	28-Jan-2026	SP_TSCD15	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1247.67946193154239; Eh
	28-Jan-2026	SP_TSCD19	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1339.03770429545466; Eh
	28-Jan-2026	SP_TSCD0	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-949.83960886831198; Eh
	28-Jan-2026	SP_TSCD1	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-718.61268156709298; Eh
	24-Jun-2025	/PEtAm2_doublet PEtAm2_C2	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	UHF; UB3LYP	STO-3G 3-21G 6-31G(D) 6-31+G(D)	-530.660825646; Eh
	24-Jun-2025	/PEtAm2_doublet PEtAm2_C1	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	UHF; UB3LYP	STO-3G 6-31G(D) 6-31+G(D)	-530.658373114; Eh
	24-Jun-2025	/PEtAm2_doublet PEtAm2_Cs	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	UHF; UB3LYP	STO-3G 6-31G(D) 6-31+G(D)	-530.655323552; Eh
	28-Jan-2026	C15-freq	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point Minimum	DFT	def2-svp; def2/J; ma-def2-svp	-1246.30438261162817; Eh

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