Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/CEP-121G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.775 | 0.188 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiF | lithium fluoride | 1.553 |
Highest value | LiF+ | lithium fluoride cation | 2.170 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiF | lithium fluoride | 1.553 | 1 | 2 |
LiF+ | lithium fluoride cation | 2.170 | 1 | 2 |
Li2F2 | Lithium fluoride dimer | 1.732 | 1 | 3 |
1.732 | 2 | 3 | ||
1.732 | 1 | 4 | ||
1.732 | 2 | 4 |