Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.31 | 1.31 | 1.31 | 1.31 | 1.31 | 1.31 | 1.31 | 1.31 | 1.32 | 1.32 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.314 | 0.002 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BF2 | Boron difluoride radical | 1.312 |
Highest value | BF3+ | boron trifluoride cation | 1.315 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BF2 | Boron difluoride radical | 1.312 | 1 | 2 |
1.312 | 1 | 3 | ||
BF3+ | boron trifluoride cation | 1.315 | 1 | 2 |
1.315 | 1 | 3 | ||
1.315 | 1 | 4 |