Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/CEP-121G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.96 | 1.96 | 1.97 | 1.97 | 1.98 | 1.98 | 1.99 | 1.99 | 2.00 | 2.00 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.972 | 0.015 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BBr3 | Boron tribromide | 1.963 |
Highest value | BBr | Boron monobromide | 1.999 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BBr | Boron monobromide | 1.999 | 1 | 2 |
BBr3 | Boron tribromide | 1.963 | 1 | 2 |
1.963 | 1 | 3 | ||
1.963 | 1 | 4 |