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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Oct-2021	TS_BH_m_tfmvs	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-1152.86508186; Eh
	1-Oct-2021	TS_BH_m_tfmb	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-794.003474183; Eh
	29-Jul-2021	i242105+i120101-i36210a+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-185.46347719; eV
	29-Jul-2021	i251102+i131102-i382101+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-193.05438995; eV
	29-Jul-2021	i252102+i100101-i352113+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-180.15010094; eV
	29-Jul-2021	i251103+i121102-i372202+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-188.08116411; eV
	29-Jul-2021	i252102+i121102-i373104+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-195.41130377; eV
	29-Jul-2021	i252102+i121101-i373103+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-195.69718087; eV
	29-Jul-2021	i201101+i130101-i331201+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-168.05820750; eV
	29-Jul-2021	i252102+i111101-i363107+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-191.19796776; eV

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