| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
 | 23-Jun-2026 | /Gaussian_output_files/diradicaloids/SP cyclohexadiene-SP | Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | uwb97xd | DEF2TZVPP | -233.3549732; Eh | | | |
 | 23-Jun-2026 | /Gaussian_output_files/diradicaloids/SP quadricyclene-SP | Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | uwb97xd | DEF2TZVPP | -270.110147; Eh | | | |
 | 23-Jun-2026 | /Gaussian_output_files/diradicaloids/SP cyclooctyne-SP | Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | uwb97xd | DEF2TZVPP | -312.0166577; Eh | | | |
 | 23-Jun-2026 | /Gaussian_output_files/diradicaloids/SP cyclohexyne-SP | Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | uwb97xd | DEF2TZVPP | -233.3400316; Eh | | | |
 | 23-Jun-2026 | /Gaussian_output_files/test_set_A-L/SP L-SP | Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | uwb97xd | DEF2TZVPP | -311.9856897; Eh | | | |
 | 23-Jun-2026 | /Gaussian_output_files/diradicaloids/Opt benzyne | Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | wb97xd | DEF2SVP | -230.655717906; Eh | | | |
 | 23-Jun-2026 | /Gaussian_output_files/diradicaloids/Opt cubene | Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | wb97xd | DEF2SVP | -307.845887497; Eh | | | |
 | 23-Jun-2026 | /Gaussian_output_files/diradicaloids/Opt ABO | Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | wb97xd | DEF2SVP | -272.374129911; Eh | | | |
 | 23-Jun-2026 | /Gaussian_output_files/diradicaloids/SP cyclohexadiene-O-2-SP | Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | uwb97xd | DEF2TZVPP | -269.2491674; Eh | | | |
 | 23-Jun-2026 | /Gaussian_output_files/diradicaloids/SP cyclohexadiene-O-1-SP | Houk, Kendall N; Wang, Zuwei; Shao, Huiling; Wong, Audrey; Garg, Neil K | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | uwb97xd | DEF2TZVPP | -269.2544825; Eh | | | |
