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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2023	CMS2-co2-tpsshd3-sp	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Single point	U-DFT	def2-TZVP	-11670.18328306; Eh
	21-Jun-2023	Bare-Fw	Vlaisavljevich, Bess	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-only	Geometry optimization	DFT	-	-2930.44126888; eV
	21-Jun-2023	water	Vlaisavljevich, Bess	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-only	Frequencies	DFT	-	-12.53373794; eV
	21-Jun-2023	CO2	Vlaisavljevich, Bess	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-only	Frequencies	DFT	-	-18.88542243; eV
	21-Jun-2023	RFW-CMS1-2water-opt	Vlaisavljevich, Bess	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-only	Geometry optimization	DFT	-	-2956.61076416; eV
	21-Jun-2023	RFW-CMS2-2water-opt	Vlaisavljevich, Bess	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-only	Geometry optimization	DFT	-	-2956.48732148; eV
	21-Jun-2023	RFW-CMS1-2water-freq	Vlaisavljevich, Bess	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-only	Frequencies	DFT	-	-2956.52981000; eV
	21-Jun-2023	RFW-CMS2-2water-freq	Vlaisavljevich, Bess	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-only	Frequencies	DFT	-	-2955.79151208; eV
	21-Jun-2023	RFW-CMS2-water-opt	Vlaisavljevich, Bess	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-only	Geometry optimization	DFT	-	-2942.49506450; eV
	21-Jun-2023	CMS2-2water-opt	Vlaisavljevich, Bess	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-only	Geometry optimization	DFT	-	-2956.57112933; eV

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