N2O2H2, G -261.016126 ( G = -259.796140 + H2=-260.974323) DG = -26.32
DOI: 10.14469/hpc/15507 Metadata
Created: 2025-08-24 17:25
Last modified: 2025-08-25 14:49
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| N2O2+H2.gjf | 484 | chemical/x-gaussian-input | Gaussian input file |
| N2O2+H2.log | 166KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 1MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 914 | 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 | -261.016126 |
| inchi | InChI=1S/H2N2O2/c3-1-2-4/h1-2H |
| inchikey | AREQVWYINUQZAF-UHFFFAOYSA-N |