Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/aug-cc-pV(T+d)Z
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.179 | 0.162 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H2S2+ | hydrogen disulfide cation | 1.984 |
Highest value | Si3H8 | trisilane | 2.339 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
H2S2 | Disulfane | 2.054 | 1 | 2 |
H2S2+ | hydrogen disulfide cation | 1.984 | 1 | 2 |
Si3H8 | trisilane | 2.339 | 1 | 2 |
2.339 | 1 | 3 |