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 |
CCSD=FULL/6-31G*
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 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.918 | 0.231 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiH | Lithium Hydride | 1.648 |
Highest value | LiH+ | lithium hydride cation | 2.348 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiH | Lithium Hydride | 1.648 | 1 | 2 |
LiH+ | lithium hydride cation | 2.348 | 1 | 2 |
LiBH4 | Lithium borohydride | 1.864 | 1 | 4 |
1.864 | 1 | 5 | ||
1.864 | 1 | 6 |