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/6-31G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.50 | 2.00 | 2.50 | 3.00 | 3.50 | 4.00 | 4.50 | 5.00 | 5.50 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.370 | 1.245 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiNH2 | lithium amide | 1.744 |
Highest value | LiN | Lithium Nitride | 4.860 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiN | Lithium Nitride | 4.860 | 1 | 2 |
LiNH2 | lithium amide | 1.744 | 1 | 2 |
Li3N | trilithium nitride | 1.750 | 1 | 2 |
1.750 | 1 | 3 | ||
1.750 | 1 | 4 |