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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Aug-2020	/Vibrational-modes freq-CO3-11	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Frequencies	DFT	-	-1852.64379268; eV
	15-Aug-2020	/Vibrational-modes freq-CO3-7	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Frequencies	DFT	-	-1864.82390106; eV
	15-Aug-2020	/Vibrational-modes freq-CO3-12	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Frequencies	DFT	-	-1851.93884441; eV
	15-Aug-2020	/Vibrational-modes freq-CO3-10	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Frequencies	DFT	-	-1852.53531647; eV
	15-Aug-2020	/Vibrational-modes freq-CO3-8	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Frequencies	DFT	-	-1851.94532391; eV
	15-Aug-2020	/Vibrational-modes freq-CO3-9	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Frequencies	DFT	-	-1852.25567298; eV
	30-Jun-2020	i44121d	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-180.73755884; eV
	30-May-2021	/benchmarking/M06_6_311+Gdp NiBrCH2CH2Phdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-7650.562471; Eh
	30-May-2021	/benchmarking/wB97X_D_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311+G(D,P) GENECP	-312.021771; Eh
	30-May-2021	/reaction_profiles/PC6H4Me3 PC6H4Me3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-1153.8058749; Eh

Results 16151-16160 of 104515 (Search time: 0.014 seconds).