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/LANL2DZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.14 | 2.16 | 2.18 | 2.20 | 2.22 | 2.24 | 2.26 | 2.28 | 2.30 | 2.32 | 2.34 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.200 | 0.059 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaCl3 | Gallium trichloride | 2.159 |
Highest value | GaCl | Gallium monochloride | 2.309 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaCl | Gallium monochloride | 2.309 | 1 | 2 |
GaCl+ | Gallium monochloride cation | 2.213 | 1 | 2 |
GaCl3 | Gallium trichloride | 2.159 | 1 | 2 |
2.159 | 1 | 3 | ||
2.159 | 1 | 4 |