Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/6-311+G(3df,2p)
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.97 | 1.97 | 1.97 | 1.97 | 1.97 | 1.97 | 1.98 | 1.98 | 1.98 | 1.98 | 1.98 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.975 | 0.002 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Cl2H+ | Chlorine, protonated | 1.973 |
Highest value | Cl2 | Chlorine diatomic | 1.977 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Cl2 | Chlorine diatomic | 1.977 | 1 | 2 |
Cl2H+ | Chlorine, protonated | 1.973 | 1 | 2 |