Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/6-31G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.97 | 1.97 | 1.97 | 1.97 | 1.97 | 1.97 | 1.97 | 1.97 | 1.98 | 1.98 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.972 | 0.004 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiBH4 | Lithium borohydride | 1.968 |
Highest value | LiB | Lithium boride | 1.976 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiB | Lithium boride | 1.976 | 1 | 2 |
LiBH4 | Lithium borohydride | 1.968 | 1 | 2 |