Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3LYP/Def2TZVPP
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.16 | 2.17 | 2.17 | 2.18 | 2.18 | 2.19 | 2.19 | 2.20 | 2.20 | 2.21 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.193 | 0.014 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsCl | Arsenic monochloride | 2.169 |
Highest value | AsCl3 | Arsenous trichloride | 2.201 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsCl | Arsenic monochloride | 2.169 | 1 | 2 |
AsCl3 | Arsenous trichloride | 2.201 | 1 | 2 |
2.201 | 1 | 3 | ||
2.201 | 1 | 4 |