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Among its various formulations, the double electron-attachment (EOM-DEA-CCSD) and double ionization potential (EOM-DIP-CCSD) methods are particularly effective for treating diradicals and other types of open-shell species. To enable accurate geometry optimizations and property calculations, we present the derivation and implementation of analytic nuclear gradients for EOM-DEA-CCSD and EOM-DIP-CCSD. These new capabilities were illustrated by calculations of singlet\u2013triplet gaps in benzyne diradicals as well as characterization of molecules relevant to quantum information science. We further extended the framework to include spin\u2013orbit coupling calculations for EOM-DEA-CCSD states, allowing calculations of intensity borrowing and intersystem crossings.<\/jats:p>","DOI":"10.1063\/5.0308620","type":"journal-article","created":{"date-parts":[[2026,1,7]],"date-time":"2026-01-07T13:28:01Z","timestamp":1767792481000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":4,"title":["Analytic gradients for EOM-DEA-CCSD and EOM-DIP-CCSD: Theory, implementation, and application to diradicals"],"prefix":"10.1063","volume":"164","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8429-2239","authenticated-orcid":false,"given":"Tingting","family":"Zhao","sequence":"first","affiliation":[{"name":"Department of Chemistry, University of Southern California , Los Angeles, California 90089,","place":["USA"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6788-5016","authenticated-orcid":false,"given":"Anna I.","family":"Krylov","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Southern California , Los Angeles, California 90089,","place":["USA"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2026,1,7]]},"reference":[{"key":"2026010708275974100_c1","doi-asserted-by":"publisher","first-page":"170","DOI":"10.1002\/anie.198701701","article-title":"Neutral and charged biradicals, zwitterions, funnels in S1, and proton translocation: Their role in photochemistry, photophysics, and vision","volume":"26","year":"1987","journal-title":"Angew. 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