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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/diradicaloids_test_set/cyclic-allene-O-2-complete/SP J-TS-cyclohexadiene-O-2-fo_tight_redo_stableSP	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	uwb97xd	DEF2TZVPP	-541.9367936; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/cyclic-allene-O-2-complete/SP G-TS-cyclohexadiene-O-2-fo_tight_redo_stableSP	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	uwb97xd	DEF2TZVPP	-503.8146058; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/cyclic-allene-O-2-complete/SP K-TS-cyclohexadiene-O-2-fo_tight_redo_stableSP	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	uwb97xd	DEF2TZVPP	-541.9074908; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/cyclic-allene-O-2-complete/SP L-TS-cyclohexadiene-O-2-fo_tight_redo_stableSP	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	uwb97xd	DEF2TZVPP	-581.2151376; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/cyclic-allene-O-2-complete/Opt K-TS-cyclohexadiene-O-2-fo_tight_redo	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	uwb97xd	DEF2SVP	-541.324513217; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/ABO-complete/Opt A-TS-ethane-ABO	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	uwb97xd	DEF2SVP	-352.030273867; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/ABO-complete/Opt B-TS-cyclopropane-ABO	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	uwb97xd	DEF2SVP	-390.101626454; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/ABO-complete/Opt C-TS-cyclobutane-ABO	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	uwb97xd	DEF2SVP	-429.363709788; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/ABO-complete/Opt H-TS-propellane-ABO	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	uwb97xd	DEF2SVP	-466.178493930; Eh
	23-Jun-2026	/Gaussian_output_files/diradicaloids_test_set/ABO-complete/Opt E-TS-housan-ABO	Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	uwb97xd	DEF2SVP	-467.433012608; Eh

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