H2
DOI: 10.14469/hpc/11236 Metadata
Created: 2022-09-28 13:08
Last modified: 2022-09-30 08:42
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
H2.gjf | 228 | chemical/x-gaussian-input | Gaussian input file |
H2.log | 18KB | chemical/x-gaussian-log | Gaussian log file |
H2.fchk | 78KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
opt.cml | 376 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/H2/h1H |
inchikey | UFHFLCQGNIYNRP-UHFFFAOYSA-N |