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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Apr-2026	/L8/PTM/eclipsed Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	DEF2TZVP	-8251.94093154; Eh
	20-Apr-2026	/L5/PTM/staggered Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	DEF2TZVP	-7900.04048642; Eh
	20-Apr-2026	/L2/PTM/eclipsed Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-7208.1791107; Eh
	20-Apr-2026	/L9/TOT Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	DEF2TZVP	-3212.48506714; Eh
	20-Apr-2026	/L12/TOT Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-3036.9036635; Eh
	20-Apr-2026	/L8/TOT Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-3410.863101; Eh
	20-Apr-2026	/L3/TOT Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-2498.5729885; 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	/L11/PTM/eclipsed Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-8220.7533328; Eh
	20-Apr-2026	/L12/PTM/eclipsed Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-7877.9818189; Eh

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