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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Apr-2026	/L1/TOT Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-2738.2480494; Eh
	20-Apr-2026	/L7/PTM/eclipsed Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	DEF2TZVP	-8164.22004759; Eh
	20-Apr-2026	/L4/PTM/eclipsed Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	DEF2TZVP	-7714.47309351; Eh
	20-Apr-2026	/L1/PTM/eclipsed Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	DEF2TZVP	-7579.32635489; Eh
	20-Apr-2026	/L16/TOT Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-2630.042792; Eh
	20-Apr-2026	/L11/PTM/eclipsed CASSCF_NEVPT2	Jutglar Lozano, Kílian	Orca; 6.0.1; RELEASE	Single point	-	def2-TZVP(-f); def2/JK	-
	20-Apr-2026	/L7/PTM/eclipsed CASSCF_NEVPT2	Jutglar Lozano, Kílian	Orca; 6.0.1; RELEASE	Single point	-	def2-TZVP(-f); def2/JK	-
	20-Apr-2026	/L4/PTM/eclipsed CASSCF_NEVPT2	Jutglar Lozano, Kílian	Orca; 6.0.1; RELEASE	Single point	-	def2-TZVP(-f); def2/JK	-
	20-Apr-2026	/L13/PTM/eclipsed CASSCF_NEVPT2	Jutglar Lozano, Kílian	Orca; 6.0.1; RELEASE	Single point	-	def2-TZVP(-f); def2/JK	-
	20-Apr-2026	/L16/PTM/eclipsed CASSCF_NEVPT2	Jutglar Lozano, Kílian	Orca; 6.0.1; RELEASE	Single point	-	def2-TZVP(-f); def2/JK	-

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