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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/Coverage_Path/NEB/HCN HCN_opt	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-170.05396215; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/NEB/HCN freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-170.05392513; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/NEB/TS2 TS2_Opt	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-167.91435392; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/NEB/TS2 TS2_Freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-167.91435362; eV
	25-Feb-2021	/Mechanisms/NaCN_Ads NaCN_Ads_Freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-169.10701019; eV
	25-Feb-2021	/Mechanisms/NaCN_Ads NaCN_Adsorption	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-169.10704566; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/2_H CH2N	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-172.91828566; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/2_H CH2N_freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-172.91829290; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/2_H CH2N_regen	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-176.95912056; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/2_H CH2N_regen_freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-176.95907979; eV

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