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 |
HF/cc-pV(Q+d)Z
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.33 | 1.33 | 1.33 | 1.33 | 1.33 | 1.34 | 1.34 | 1.34 | 1.34 | 1.34 | 1.35 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.334 | 0.008 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H2S | Hydrogen sulfide | 1.326 |
Highest value | H2S+ | Hydrogen sulfide cation | 1.343 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
H2S | Hydrogen sulfide | 1.326 | 1 | 2 |
1.326 | 1 | 3 | ||
H2S+ | Hydrogen sulfide cation | 1.343 | 1 | 2 |
1.343 | 1 | 3 |