Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP=FULLultrafine/3-21G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.66 | 1.66 | 1.67 | 1.67 | 1.68 | 1.68 | 1.69 | 1.69 | 1.70 | 1.70 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.682 | 0.018 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaH+ | Gallium monohydride cation | 1.664 |
Highest value | GaH | Gallium monohydride | 1.700 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaH | Gallium monohydride | 1.700 | 1 | 2 |
GaH+ | Gallium monohydride cation | 1.664 | 1 | 2 |