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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jul-2020	AC_CH2-Br-Pt-Br	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-700.16022919; eV
	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 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 TS2	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-555.71782531; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVDZ Hemiaminal	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-555.81679108; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVDZ TS2W	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-631.78652831; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVDZ Imine	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-479.78193106; 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
	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
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVTZ NButylamine	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-212.40774665; Eh

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