Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBE1PBE/STO-3G
6 | ||||||||||
5 | ||||||||||
4 | ||||||||||
3 | ||||||||||
2 | ||||||||||
1 | ||||||||||
0 | ||||||||||
2.37 | 2.38 | 2.39 | ||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.376 | 0.000 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | As4 | Arsenic tetramer | 2.376 |
Highest value | As4 | Arsenic tetramer | 2.376 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
As4 | Arsenic tetramer | 2.376 | 1 | 2 |
2.376 | 1 | 3 | ||
2.376 | 1 | 4 | ||
2.376 | 2 | 3 | ||
2.376 | 2 | 4 | ||
2.376 | 3 | 4 |