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=FULL/6-31G
10 | ||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.20 | 1.30 | 1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.426 | 0.149 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BF3+ | boron trifluoride cation | 1.281 |
Highest value | BF3+ | boron trifluoride cation | 2.045 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BF | Boron monofluoride | 1.339 | 1 | 2 |
BF2 | Boron difluoride radical | 1.366 | 1 | 2 |
1.366 | 1 | 3 | ||
BF3- | Borane, trifluoro- anion | 1.456 | 1 | 2 |
1.456 | 1 | 3 | ||
1.456 | 1 | 4 | ||
BF3 | Borane, trifluoro- | 1.363 | 1 | 2 |
1.363 | 1 | 3 | ||
1.363 | 1 | 4 | ||
BF3+ | boron trifluoride cation | 2.045 | 1 | 2 |
1.281 | 1 | 3 | ||
1.281 | 1 | 4 | ||
BClF2 | Chlorodifluoroborane | 1.365 | 1 | 3 |
1.365 | 1 | 4 | ||
BF4- | tetrafluoroboron anion | 1.452 | 1 | 2 |
1.452 | 1 | 3 | ||
1.452 | 1 | 4 | ||
1.452 | 1 | 5 | ||
NH3BF3 | Amminetrifluoroboron | 1.423 | 2 | 3 |
1.423 | 2 | 4 | ||
1.423 | 2 | 5 |