Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/STO-3G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.393 | 0.120 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaH3 | Gallium trihydride | 1.272 |
Highest value | Ga2H6 | digallane | 1.554 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaH | Gallium monohydride | 1.310 | 1 | 2 |
GaH+ | Gallium monohydride cation | 1.499 | 1 | 2 |
GaH3 | Gallium trihydride | 1.272 | 1 | 2 |
1.272 | 1 | 3 | ||
1.272 | 1 | 4 | ||
Ga2H6 | digallane | 1.554 | 1 | 3 |
1.554 | 1 | 4 | ||
1.317 | 1 | 5 | ||
1.317 | 1 | 6 | ||
1.554 | 2 | 3 | ||
1.554 | 2 | 4 | ||
1.317 | 2 | 7 | ||
1.317 | 2 | 8 |