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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 NButylamine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D,P)	-213.768332517; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd Water	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D,P)	-76.4180817126; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd Hemiaminal	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D,P)	-559.267525846; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd TS2N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-772.997156072; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd TS2W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-635.651926870; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd Imine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D,P)	-482.840876599; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-559.201735176; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-849.441885929; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVTZ TS2NW	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-844.37876816; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVTZ TS2N	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-768.28645419; Eh

Results 271-280 of 294 (Search time: 0.001 seconds).