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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/5_H CH2NH3_regen_freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-189.41898125; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/6_H CH3NH3_freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-190.70597756; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/6_H CH3NH3_regen_freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-194.46354797; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/7_H CH4+NH3_regen_freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-199.66615583; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/7_H CH4+NH3_freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-195.62604105; eV
	25-Feb-2021	/Ref_Structures H2O_Freq	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 19:06:03) gamma-only	Frequencies	DFT	-	-14.72878394; eV
	25-Feb-2021	/Ref_Structures NaCN_Freq	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 19:06:03) gamma-only	Frequencies	DFT	-	-17.78905211; eV
	25-Feb-2021	/Ref_Structures NH3_Freq	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 19:06:03) gamma-only	Frequencies	DFT	-	-20.66243911; eV
	25-Feb-2021	/Ref_Structures CH4_Freq	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 19:06:03) gamma-only	Frequencies	DFT	-	-25.59899408; eV
	25-Feb-2021	/Ref_Structures H2_Freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-7.47025767; eV

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