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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd TS2WW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-712.094296777; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVDZ Benzanaldehyde	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-343.47338724; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVDZ NButylamine	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-212.34521978; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVDZ Water	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-76.03364317; Eh
	30-Sep-2021	/Water/TS_water ch3cf3-och3-ts_6311+Gd180	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-492.868830967; Eh
	9-Nov-2018	/vacuum/complexes omewco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-749.128024273; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVDZ TS2NW	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-844.13755008; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVDZ TS2N	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-768.07569184; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVDZ TS2WW	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-707.84111732; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVTZ Benzanaldehyde	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-343.56067849; Eh

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