N6 NEDA 0 1 0 3 0 -3 Bond 2-3 Total Interaction (E) : -168.301
DOI: 10.14469/hpc/15665 Metadata
Created: 2026-01-06 14:52
Last modified: 2026-01-06 16:11
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| N6-EDA-3-2.gjf | 510 | chemical/x-gaussian-input | Gaussian input file |
| N6-EDA-3-2.log | 582KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 5MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 919 | chemical/x-cml | Optimised geometry |
| Rawbinaryarray.baf | 25MB | 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 |
|---|---|
| inchi | InChI=1S/N6/c1-3-5-6-4-2/b6-5+ |
| inchikey | UCDGJNRDJKMFBS-AATRIKPKSA-N |