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=FULLultrafine/cc-pVDZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.20 | 1.22 | 1.24 | 1.26 | 1.28 | 1.30 | 1.32 | 1.34 | 1.36 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.274 | 0.060 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | B2O3 | diboron trioxide | 1.214 |
Highest value | B2O3 | diboron trioxide | 1.335 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
B2O3 | diboron trioxide | 1.214 | 2 | 4 |
1.214 | 3 | 5 | ||
1.335 | 1 | 2 | ||
1.335 | 1 | 3 |