Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/6-31+G**
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0 | ||||||||||||||||||||||||||||
2.54 | 2.56 | 2.58 | 2.60 | 2.62 | 2.64 | 2.66 | 2.68 | 2.70 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.617 | 0.060 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Ga2H6 | digallane | 2.557 |
Highest value | Ga2 | Gallium diatomic | 2.677 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Ga2 | Gallium diatomic | 2.677 | 1 | 2 |
Ga2H6 | digallane | 2.557 | 1 | 2 |