N12, Cs -656.617560 (6N2 = -657.30699)
DOI: 10.14469/hpc/15646 Metadata
Created: 2025-12-24 09:50
Last modified: 2026-01-28 09:16
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| N12-cs-2-2.gjf | 811 | chemical/x-gaussian-input | Gaussian input file |
| N12-cs-2-2.log | 87KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 19MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 1KB | chemical/x-cml | Optimised geometry |
| Rawbinaryarray.baf | 33MB | 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 | -656.617560 |
| inchi | InChI=1S/N12/c1-4-7-10-11(8-5-2)12(10)9-6-3/t10-,11-,12- |
| inchikey | GYGFKEUAYSOGBJ-AQHSTMNCSA-N |