N2O2 as strong dimer? G = -259.796140, STABLE wavefunction!
DOI: 10.14469/hpc/15474 Metadata
Created: 2025-08-15 10:36
Last modified: 2025-08-20 13:23
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| N2O2.gjf | 365 | chemical/x-gaussian-input | Gaussian input file |
| N2O2.log | 29KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 3MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 645 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/15480 | The even more mysterious N≡N triple bond in nitric oxide dimer. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/N2O2/c3-1-2-4 |
| inchikey | AZLYZRGJCVQKKK-UHFFFAOYSA-N |