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/TZVP
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
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 |
---|---|
1.850 | 0.221 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Li3N | trilithium nitride | 1.715 |
Highest value | LiN+ | Lithium Nitride cation | 2.326 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiN | Lithium Nitride | 1.889 | 1 | 2 |
LiN+ | Lithium Nitride cation | 2.326 | 1 | 2 |
LiNH2 | lithium amide | 1.743 | 1 | 2 |
Li3N | trilithium nitride | 1.715 | 1 | 2 |
1.715 | 1 | 3 | ||
1.715 | 1 | 4 |