Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP/STO-3G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.54 | 1.54 | 1.55 | 1.55 | 1.56 | 1.56 | 1.57 | 1.57 | 1.58 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.558 | 0.015 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | OPCl | Phosphorus oxychloride | 1.542 |
Highest value | PO | Phosphorus monoxide | 1.573 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PO | Phosphorus monoxide | 1.573 | 1 | 2 |
OPCl | Phosphorus oxychloride | 1.542 | 1 | 2 |