Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/aug-cc-pVTZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.75 | 1.75 | 1.76 | 1.76 | 1.77 | 1.77 | 1.78 | 1.78 | 1.79 | 1.79 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.780 | 0.015 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiNH2 | lithium amide | 1.754 |
Highest value | Li3N | trilithium nitride | 1.789 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiNH2 | lithium amide | 1.754 | 1 | 2 |
Li3N | trilithium nitride | 1.789 | 1 | 2 |
1.789 | 1 | 3 | ||
1.789 | 1 | 4 |