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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Apr-2026	/L5/PTM/staggered Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-7900.0400884; Eh
	20-Apr-2026	/L13/PTM/staggered Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-7535.2104128; Eh
	20-Apr-2026	/L9/PTM/eclipsed Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-8053.5594238; Eh
	20-Apr-2026	/L14/PTM/staggered Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-8156.6061479; Eh
	20-Apr-2026	/L8/TOT Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	DEF2TZVP	-3410.86473963; Eh
	20-Apr-2026	/L5/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	/L7/PTM/staggered Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-8164.2191778; Eh
	20-Apr-2026	/L2/PTM/staggered Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	DEF2TZVP	-7208.17916149; Eh
	20-Apr-2026	/L4/PTM/eclipsed Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-7714.4727759; Eh

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