Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/TZVP
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.777 | 0.105 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiH | Lithium Hydride | 1.596 |
Highest value | LiBH4 | Lithium borohydride | 1.838 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiH | Lithium Hydride | 1.596 | 1 | 2 |
LiBH4 | Lithium borohydride | 1.838 | 1 | 4 |
1.838 | 1 | 5 | ||
1.838 | 1 | 6 |