Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(TQ)/STO-3G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.25 | 1.26 | 1.27 | 1.28 | 1.29 | 1.30 | 1.31 | 1.32 | 1.33 | 1.34 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.311 | 0.030 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BF | Boron monofluoride | 1.259 |
Highest value | BF3 | Borane, trifluoro- | 1.328 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BF | Boron monofluoride | 1.259 | 1 | 2 |
BF3 | Borane, trifluoro- | 1.328 | 1 | 2 |
1.328 | 1 | 3 | ||
1.328 | 1 | 4 |