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=FULL/aug-cc-pVDZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.91 | 1.91 | 1.92 | 1.92 | 1.93 | 1.93 | 1.94 | 1.94 | 1.95 | 1.95 | 1.96 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.934 | 0.020 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiCN | lithium cyanide | 1.914 |
Highest value | CH3Li | methyl lithium | 1.954 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH3Li | methyl lithium | 1.954 | 1 | 2 |
LiCN | lithium cyanide | 1.914 | 1 | 2 |