HCOH, wB97XD/Def2-TZVPP, 1,4-shift

Published April 11, 2026 | Version v1

Dataset Open

Gaussian 16 (C01) calculation

Files

Name	Size
checkpoint.fchk md5:b2509576a2b20b43d3768b182399b288	1.4 MB	Download
HC=CH=CH-OH-14-2-2-3-2-5-2.gjf md5:6b514e171288400b79e436b5162e5e26	692 Bytes	Download
HC=CH=CH-OH-14-2-2-3-2-5-2.log md5:c1048f6337e5028560915bbb31887c12	440.8 kB	Download
opt.cml md5:cd9b6992c56383f84bed7149e7f603cc	1.2 kB	Download
Rawbinaryarray.baf md5:81a0d952ece369e7c016d5bb8a1a3400	8.4 MB	Download

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Zenodo

License: Creative Commons Zero v1.0 Universal

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