Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROMP2/cc-pCVDZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.35 | 1.35 | 1.35 | 1.36 | 1.36 | 1.36 | 1.36 | 1.36 | 1.37 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.359 | 0.006 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HS | Mercapto radical | 1.350 |
Highest value | H2S+ | Hydrogen sulfide cation | 1.364 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HS | Mercapto radical | 1.350 | 1 | 2 |
H2S+ | Hydrogen sulfide cation | 1.364 | 1 | 2 |
1.364 | 1 | 3 |