DOI: 10.14469/hpc/14437 Metadata
Created: 2024-07-14 06:05
Last modified: 2024-11-27 11:36
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| TS3+NH4-9.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
| TS3+NH4-9.log | 648KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 35MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 5KB | chemical/x-cml | Optimised geometry |
| Rawbinaryarray.baf | 58MB | chemical/x-rawbinaryarray | Raw Binary Array File |
| TS3a-195.txt | 1KB | text/plain | KIE@195K |
| TS3a-298.txt | 1KB | text/plain | KIE@298K |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/2097 | Error |