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=FULL/STO-3G
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.463 | 0.116 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Ga2H6 | digallane | 1.334 |
Highest value | Ga2H6 | digallane | 1.587 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaH | Gallium monohydride | 1.416 | 1 | 2 |
GaH+ | Gallium monohydride cation | 1.529 | 1 | 2 |
Ga2H6 | digallane | 1.587 | 1 | 3 |
1.587 | 1 | 4 | ||
1.334 | 1 | 5 | ||
1.334 | 1 | 6 | ||
1.587 | 2 | 3 | ||
1.587 | 2 | 4 | ||
1.334 | 2 | 7 | ||
1.334 | 2 | 8 |