Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD/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 |
---|---|
2.045 | 0.108 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiC | Lithium Carbide | 1.930 |
Highest value | LiCN | lithium cyanide | 2.189 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiC | Lithium Carbide | 1.930 | 1 | 2 |
CH3Li | methyl lithium | 2.015 | 1 | 2 |
LiCN | lithium cyanide | 2.189 | 1 | 2 |