Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
MP2=FULL/cc-pVDZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.033 | 0.107 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiC | Lithium Carbide | 1.919 |
Highest value | LiCN | lithium cyanide | 2.177 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiC | Lithium Carbide | 1.919 | 1 | 2 |
CH3Li | methyl lithium | 2.002 | 1 | 2 |
LiCN | lithium cyanide | 2.177 | 1 | 2 |