S7O2 NBO7 Cs symmetry
DOI: 10.14469/hpc/15235 Metadata
Created: 2025-05-18 19:17
Last modified: 2025-05-19 06:50
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| S7O2.gjf | 713 | chemical/x-gaussian-input | Gaussian input file |
| S7O2.log | 964KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 5MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 1KB | chemical/x-cml | Optimised geometry |
| Rawbinaryarray.baf | 16MB | chemical/x-rawbinaryarray | Raw Binary Array File |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -2937.473008 |
| inchi | InChI=1S/O2S7/c1-8-5-3-4-6-9(2)7-8/t8-,9+ |
| inchikey | CRXWVNMOQJPLHA-DTORHVGOSA-N |