Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/SDD
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.0 | 4.0 | 6.0 | 8.0 | 10.0 | 12.0 | 14.0 | 16.0 | 18.0 | 20.0 | 22.0 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
5.719 | 6.989 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaCl3 | Gallium trichloride | 2.185 |
Highest value | GaCl+ | Gallium monochloride cation | 19.696 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaCl | Gallium monochloride | 2.343 | 1 | 2 |
GaCl+ | Gallium monochloride cation | 19.696 | 1 | 2 |
GaCl3 | Gallium trichloride | 2.185 | 1 | 2 |
2.185 | 1 | 3 | ||
2.185 | 1 | 4 |