N2S2 dimer, G = -905.833024 DG = -27.57
DOI: 10.14469/hpc/15495 Metadata
Created: 2025-08-23 07:30
Last modified: 2025-08-25 07:05
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| N2S2.gjf | 378 | chemical/x-gaussian-input | Gaussian input file |
| N2S2.log | 179KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 1MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 649 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -905.833024 |
| inchi | InChI=1S/N2S2/c3-1-2-4 |
| inchikey | QRDHZSPYCMTAMM-UHFFFAOYSA-N |