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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
MP4/daug-cc-pVDZ
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| 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | 2.50 | 2.60 | 2.70 | 2.80 | 2.90 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.215 | 0.288 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | S2 | Sulfur diatomic | 1.949 |
| Highest value | S4 | Sulfur tetramer | 2.710 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| S2 | Sulfur diatomic | 1.949 | 1 | 2 |
| S3 | Sulfur trimer | 1.984 | 1 | 2 |
| 1.984 | 1 | 3 | ||
| CH3SSH | Hydrogen methyl disulfide | 2.110 | 2 | 3 |
| Si3H8 | trisilane | 2.368 | 1 | 2 |
| 2.368 | 1 | 3 | ||
| S4 | Sulfur tetramer | 2.710 | 1 | 2 |
| 1.985 | 1 | 3 | ||
| 1.985 | 2 | 4 | ||
| 2.710 | 3 | 4 |