Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(T)=FULL/aug-cc-pVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.61 | 1.61 | 1.62 | 1.62 | 1.63 | 1.63 | 1.64 | 1.64 | 1.65 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.626 | 0.016 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaH+ | Gallium monohydride cation | 1.610 |
Highest value | GaH | Gallium monohydride | 1.642 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaH | Gallium monohydride | 1.642 | 1 | 2 |
GaH+ | Gallium monohydride cation | 1.610 | 1 | 2 |