Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/6-311+G(3df,2p)
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 |
---|---|
1.870 | 0.224 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Li3N | trilithium nitride | 1.735 |
Highest value | LiN+ | Lithium Nitride cation | 2.352 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiN | Lithium Nitride | 1.908 | 1 | 2 |
LiN+ | Lithium Nitride cation | 2.352 | 1 | 2 |
LiNH2 | lithium amide | 1.754 | 1 | 2 |
Li3N | trilithium nitride | 1.735 | 1 | 2 |
1.735 | 1 | 3 | ||
1.735 | 1 | 4 |