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/cc-pVTZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.65 | 1.65 | 1.65 | 1.65 | 1.66 | 1.66 | 1.66 | 1.66 | 1.66 | 1.67 | 1.67 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.657 | 0.008 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaH+ | Gallium monohydride cation | 1.649 |
Highest value | GaH | Gallium monohydride | 1.664 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaH | Gallium monohydride | 1.664 | 1 | 2 |
GaH+ | Gallium monohydride cation | 1.649 | 1 | 2 |