Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3/cc-pVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.72 | 1.72 | 1.72 | 1.73 | 1.73 | 1.73 | 1.73 | 1.73 | 1.74 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.725 | 0.005 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Li3N | trilithium nitride | 1.722 |
Highest value | LiNH2 | lithium amide | 1.734 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiNH2 | lithium amide | 1.734 | 1 | 2 |
Li3N | trilithium nitride | 1.722 | 1 | 2 |
1.722 | 1 | 3 | ||
1.722 | 1 | 4 |