test job
DOI: 10.14469/hpc/8676 Metadata
Created: 2021-07-26 10:53
Last modified: 2021-07-28 11:46
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| test.com | 214 | application/x-msdos-program | Gaussian input file |
| test.log | 23KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 130KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 646 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/8420 | test |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/CH2O/c1-2/h1H2 |
| inchikey | WSFSSNUMVMOOMR-UHFFFAOYSA-N |