N2 G -= -109.545686
DOI: 10.14469/hpc/15511 Metadata
Created: 2025-08-25 06:55
Last modified: 2025-08-25 09:05
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| N2.gjf | 249 | chemical/x-gaussian-input | Gaussian input file |
| N2.log | 69KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 244KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 376 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/15516 | Hydrogenating the even more mysterious N≡N triple bond in a nitric oxide dimer. |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -109.545686 |
| inchi | InChI=1S/N2/c1-2 |
| inchikey | IJGRMHOSHXDMSA-UHFFFAOYSA-N |