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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Jan-2026	TSCD2	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization TS	DFT	def2-svp; ma-def2-svp	-1408.26236145764551; Eh
	24-Jun-2025	/PEtAm2Ph2_doublet PEtAm2Ph2_C2v_1	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	UHF; UB3LYP	STO-3G 3-21G 6-31G(D) 6-31+G(D)	118.80172722; Eh
	24-Jun-2025	/PEtAm2Ph2_doublet PEtAm2Ph2_C2v_2	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	UHF; UB3LYP	STO-3G 3-21G 6-31G(D) 6-31+G(D)	179.81441956; Eh
	24-Jun-2025	/PEtAm2Ph2_doublet PEtAm2Ph2_C2_1_2	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	UHF; UB3LYP	3-21G 6-31G(D) 6-31+G(D)	181.19875978; Eh
	24-Jun-2025	/PEtAm2Ph2_doublet PEtAm2Ph2_C2_1_1	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	UHF	STO-3G	180.34910693; Eh
	28-Jan-2026	E14	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1266.30119436185601; Eh
	28-Jan-2026	E17	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1290.87513229910064; Eh
	28-Jan-2026	E16	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1212.22183345055350; Eh
	28-Jan-2026	E15	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1359.52318341243495; Eh
	28-Jan-2026	E13	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1175.08426040369500; Eh

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