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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jun-2026	/Gaussian_output_files/test_set_A-L/Opt E	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	wb97xd	DEF2SVP	-195.086271037; Eh
	23-Jun-2026	/Gaussian_output_files/test_set_A-L/Opt F	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	wb97xd	DEF2SVP	-234.393861908; Eh
	23-Jun-2026	/Gaussian_output_files/test_set_A-L/Opt G	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	wb97xd	DEF2SVP	-234.367616337; Eh
	23-Jun-2026	/Gaussian_output_files/test_set_A-L/Opt H	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	wb97xd	DEF2SVP	-193.807035586; Eh
	23-Jun-2026	/Gaussian_output_files/test_set_A-L/Opt J	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	wb97xd	DEF2SVP	-272.405759914; Eh
	23-Jun-2026	/Gaussian_output_files/test_set_A-L/Opt I	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	wb97xd	DEF2SVP	-233.086922074; Eh
	23-Jun-2026	/Gaussian_output_files/test_set_A-L/Opt K	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	wb97xd	DEF2SVP	-272.371805072; Eh
	23-Jun-2026	/Gaussian_output_files/test_set_A-L/Opt L	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	wb97xd	DEF2SVP	-311.662016792; Eh
	17-Jun-2026	/angle-scan expt-angle-opt	O'Leary, Cara; Vlaisavljevich, Bess	TURBOMOLE; 7.8.1	Restricted geometry optimization	U-DFT	def-TZVP; def2-TZVP	-4122.204192855; Eh
	17-Jun-2026	/angle-scan 110-opt	O'Leary, Cara; Vlaisavljevich, Bess	TURBOMOLE; 7.8.1	Restricted geometry optimization	U-DFT	def-TZVP; def2-TZVP	-4122.205089157; Eh

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