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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2021	i221104+i121102-i342114+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-176.96787908; eV
	29-Jul-2021	i221105+i111101-i332208+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-174.96461420; eV
	29-Jul-2021	i221104+i130101-i351205+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-173.21959188; eV
	29-Jul-2021	i221104+i130101-i351107+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-173.63713899; eV
	30-May-2021	/benchmarking/BP86_D3BJ_6_311+Gdp NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-311+G(D,P) GENECP	-5080.5436272; Eh
	30-May-2021	/benchmarking/BP86_D3BJ_6_311+Gdp Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-311+G(D,P) GENECP	-8028.1841296; Eh
	30-May-2021	/benchmarking/BP86_D3BJ_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-311+G(D,P) GENECP	-3259.7266785; Eh
	30-May-2021	/benchmarking/BP86_D3BJ_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-311+G(D,P) GENECP	-312.1398999; Eh
	30-May-2021	/benchmarking/B3LYP_D3_6_311+G2d2p COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(2D,2P)	-312.1550359; Eh
	29-Nov-2021	/Adatoms/Bridge Co-1-1	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1100.75954344; eV

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