Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
B97D3/TZVP
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | 2.50 | 2.60 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.912 | 0.255 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiH | Lithium Hydride | 1.626 |
Highest value | LiH+ | lithium hydride cation | 2.446 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiH- | lithium hydride anion | 1.769 | 1 | 2 |
LiH | Lithium Hydride | 1.626 | 1 | 2 |
LiH+ | lithium hydride cation | 2.446 | 1 | 2 |
LiBH4 | Lithium borohydride | 1.877 | 1 | 4 |
1.877 | 1 | 5 | ||
1.877 | 1 | 6 |