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 |
wB97X-D/aug-cc-pVTZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.61 | 1.61 | 1.62 | 1.62 | 1.62 | 1.62 | 1.62 | 1.63 | 1.63 | 1.63 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.622 | 0.006 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsO | Arsenic monoxide | 1.614 |
Highest value | AsO2 | Aresenic dioxide | 1.627 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsO | Arsenic monoxide | 1.614 | 1 | 2 |
AsO2 | Aresenic dioxide | 1.627 | 1 | 2 |
1.627 | 1 | 3 |