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 |
TPSSh/6-31G(2df,p)
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
2.13 | 2.14 | 2.14 | 2.15 | 2.15 | 2.16 | 2.16 | 2.17 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.158 | 0.011 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsCl | Arsenic monochloride | 2.140 |
Highest value | AsCl3 | Arsenous trichloride | 2.164 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsCl | Arsenic monochloride | 2.140 | 1 | 2 |
AsCl3 | Arsenous trichloride | 2.164 | 1 | 2 |
2.164 | 1 | 3 | ||
2.164 | 1 | 4 |