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/STO-3G
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.92 | 1.94 | 1.96 | 1.98 | 2.00 | 2.02 | 2.04 | 2.06 | 2.08 | 2.10 | 2.12 | 2.14 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.030 | 0.056 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaCl | Gallium monochloride | 1.930 |
Highest value | GaCl+ | Gallium monochloride cation | 2.106 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaCl | Gallium monochloride | 1.930 | 1 | 2 |
GaCl+ | Gallium monochloride cation | 2.106 | 1 | 2 |
GaCl3 | Gallium trichloride | 2.038 | 1 | 2 |
2.038 | 1 | 3 | ||
2.038 | 1 | 4 |