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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Feb-2021	/Mechanisms/Chemical_Path/3_H CH2NH_regen	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-182.26781476; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/3_H CH2NH_regen_freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-182.26777500; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/3_H CHNH2	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-178.29568957; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/3_H CHNH2_freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-178.29563769; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/3_H CHNH2_regen_freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-181.52997265; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/3_H CHNH2_regen	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-181.53000901; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/3_H CHNH3	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-181.28098272; eV
	25-Feb-2021	/Coverage_Analysis/H 8_H	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-77.74185196; eV
	25-Feb-2021	/Coverage_Analysis/H H_hcp_freq	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Frequencies	DFT	-	-55.08929133; eV
	25-Feb-2021	/Coverage_Analysis/O 3_O	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-69.53447672; eV

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