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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Sep-2025	/Gas-phase/CCSDT-F12 NH3	Mates Torres, Eric	Orca; 5.0.3; RELEASE	Geometry optimization	CCSD(T)-F12	cc-pVTZ-F12; cc-pVTZ-F12-CABS; aug-cc-pVTZ; aug-cc-pVQZ/C; CPU.; CPU	-56.21942304; Eh
	3-Sep-2025	/Gas-phase/PBE0 H2CO	Mates Torres, Eric	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVP; CPU.; CPU	-114.41836764; Eh
	3-Sep-2025	/Gas-phase/PBE0 CO	Mates Torres, Eric	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVP; CPU.; CPU	-113.23063354; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_Ci_1_PPrelaxedscan_3	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	UHF	3-21G 6-31G(D) 6-31+G(D)	-1061.33246556; Eh
	28-Jan-2026	E10	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1101.04410936888235; Eh
	28-Jan-2026	E1	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1101.04446791042164; Eh
	28-Jan-2026	IRC_TSEF4	Garcia Padilla, Eduardo	Orca; 6.1.x; CURRENT	Single point	DFT	def2-svp; def2/J; def2-TZVP	-1397.92041464757858; Eh
	28-Jan-2026	E0	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1061.69481309607954; Eh
	28-Jan-2026	IRC_TSEF9	Garcia Padilla, Eduardo	Orca; 6.1.x; CURRENT	Single point	DFT	def2-svp; def2/J; def2-TZVP	-1153.29836722639493; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_Ci_1_PPrelaxedscan_4	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Minimum	-	-	-922.169247744; Eh

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