N2H4 G =-111.844878 (N2 + 2H2 =-111.902052, DG = +35.88, N2H2 +H2 = -111.825138, 2nd step DG -12.39, overall +48.2 -12.39 = DDF +35.88
DOI: 10.14469/hpc/15508 Metadata
Created: 2025-08-24 18:51
Last modified: 2025-08-25 07:06
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| N2H4.gjf | 485 | chemical/x-gaussian-input | Gaussian input file |
| N2H4.log | 163KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 675KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 911 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -111.844878 |
| inchi | InChI=1S/H4N2/c1-2/h1-2H2 |
| inchikey | OAKJQQAXSVQMHS-UHFFFAOYSA-N |