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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jun-2025	/PAm2_doublet PAm2_C2_2_doublet_1	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	UHF	3-21G 6-31G(D) 6-31+G(D)	-453.232188286; Eh
	24-Jun-2025	/PAm2_doublet PAm2_C2_2_doublet_2	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	UB3LYP	6-31G(D)	-453.251361388; Eh
	28-Jan-2026	IRC_TSCD14	Garcia Padilla, Eduardo	Orca; 6.1.x; CURRENT	Single point	DFT	def2-svp; def2/J; ma-def2-svp	-1153.19684575461019; Eh
	28-Jan-2026	SP_TSCD6	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1064.43738167236802; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_C2_4_2	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	RHF	3-21G 6-31G(D)	-1057.70323755; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_C2_4_3	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	RHF	6-31+G(D)	-1061.34606016; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_C2_4_1	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	RHF	STO-3G	-1052.15656973; Eh
	28-Jan-2026	D21	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-svp; def2/J; ma-def2-svp	-1351.58366728921169; Eh
	28-Jan-2026	D9	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-svp; def2/J; ma-def2-svp	-1041.08662562718177; Eh
	28-Jan-2026	D2	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-svp; def2/J; ma-def2-svp	-1408.33940075770761; Eh

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