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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 | |
ROMP2/cc-pVDZ
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| 1.94 | 1.95 | 1.96 | 1.97 | 1.98 | 1.99 | 2.00 | 2.01 | 2.02 | 2.03 | 2.04 | 2.05 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.993 | 0.032 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | S2 | Sulfur diatomic | 1.943 |
| Highest value | H2S2+ | hydrogen disulfide cation | 2.031 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| S2 | Sulfur diatomic | 1.943 | 1 | 2 |
| HS2 | Thiosulfeno radical | 1.995 | 1 | 2 |
| H2S2+ | hydrogen disulfide cation | 2.031 | 1 | 2 |
| S3- | Sulfur trimer anion | 2.025 | 1 | 2 |
| 2.025 | 1 | 3 | ||
| S3+ | Sulfur trimer cation | 1.967 | 1 | 2 |
| 1.967 | 1 | 3 |