DOI: 10.14469/hpc/14490 Metadata
Created: 2024-07-25 11:11
Last modified: 2024-11-27 11:37
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| TS3+NH4-10.gjf | 7KB | chemical/x-gaussian-input | Gaussian input file |
| TS3+NH4-10.log | 566KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 45MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 5KB | chemical/x-cml | Optimised geometry |
| Rawbinaryarray.baf | 83MB | chemical/x-rawbinaryarray | Raw Binary Array File |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/2097 | Error |