Table 1. Calculated and experimental bond length r in S2. Experimental value is NIST/JANAF-recommended distance3.
| DFT functional | r/Å |
| PBE | 1.911 |
| PBEsol | 1.903 |
| LDA | 1.895 |
| PBE0 | 1.884 |
| Experiment | 1.889 |
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