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/SDD
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.95 | 1.96 | 1.97 | 1.98 | 1.99 | 2.00 | 2.01 | 2.02 | 2.03 | 2.04 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.977 | 0.033 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiC | Lithium Carbide | 1.952 |
Highest value | CH3Li | methyl lithium | 2.024 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiC | Lithium Carbide | 1.952 | 1 | 2 |
CH3Li | methyl lithium | 2.024 | 1 | 2 |
LiCN | lithium cyanide | 1.956 | 1 | 2 |