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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/SP B-SP	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	uwb97xd	DEF2TZVPP	-117.9029478; Eh
	23-Jun-2026	/Gaussian_output_files/test_set_A-L/SP G-SP	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	uwb97xd	DEF2TZVPP	-234.6142232; Eh
	23-Jun-2026	/Gaussian_output_files/test_set_A-L/SP D-SP	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	uwb97xd	DEF2TZVPP	-155.9559227; Eh
	23-Jun-2026	/Gaussian_output_files/test_set_A-L/SP C-SP	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	uwb97xd	DEF2TZVPP	-157.2232348; Eh
	23-Jun-2026	/Gaussian_output_files/test_set_A-L/SP A-SP	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	uwb97xd	DEF2TZVPP	-79.8347412; Eh
	23-Jun-2026	/Gaussian_output_files/test_set_A-L/Opt C	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	wb97xd	DEF2SVP	-157.054668411; Eh
	23-Jun-2026	/Gaussian_output_files/test_set_A-L/Opt D	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	wb97xd	DEF2SVP	-155.790202773; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids/Opt cyclohexadiene	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	wb97xd	DEF2SVP	-233.104337925; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids/Opt quadricyclene	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	wb97xd	DEF2SVP	-269.826368465; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids/Opt cyclooctyne	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	wb97xd	DEF2SVP	-311.683491179; Eh

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