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/6-311G**
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.62 | 1.62 | 1.62 | 1.62 | 1.63 | 1.63 | 1.63 | 1.63 | 1.63 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.628 | 0.006 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsO | Arsenic monoxide | 1.619 |
Highest value | AsO2 | Aresenic dioxide | 1.632 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsO | Arsenic monoxide | 1.619 | 1 | 2 |
AsO2 | Aresenic dioxide | 1.632 | 1 | 2 |
1.632 | 1 | 3 |