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/6-31+G**
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.65 | 1.65 | 1.66 | 1.66 | 1.67 | 1.67 | 1.68 | 1.68 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.663 | 0.013 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaH+ | Gallium monohydride cation | 1.650 |
Highest value | GaH | Gallium monohydride | 1.675 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaH | Gallium monohydride | 1.675 | 1 | 2 |
GaH+ | Gallium monohydride cation | 1.650 | 1 | 2 |