N8 (N2, wB97XD/Def2-QZVPP G - -437.811077 (4 G = -109.551165 = -438.20466) or 61.7 per N2
DOI: 10.14469/hpc/15642 Metadata
Created: 2025-12-23 14:40
Last modified: 2026-01-06 14:56
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| N8.gjf | 495 | chemical/x-gaussian-input | Gaussian input file |
| N8.log | 449KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 8MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 1KB | chemical/x-cml | Optimised geometry |
| Rawbinaryarray.baf | 16MB | chemical/x-rawbinaryarray | Raw Binary Array File |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/15660 | New neutral nitrogen allotrope |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -437.811077 |
| inchi | InChI=1S/N8/c1-3-5-7-8-6-4-2/b7-5+,8-6+ |
| inchikey | CLLVUWOZDBOXIQ-KQQUZDAGSA-N |