Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/aug-cc-pVQZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.51 | 1.52 | 1.52 | 1.53 | 1.53 | 1.54 | 1.54 | 1.55 | 1.55 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.532 | 0.016 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiO+ | silicon monoxide cation | 1.516 |
Highest value | SiO- | silicon monoxide anion | 1.547 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiO- | silicon monoxide anion | 1.547 | 1 | 2 |
SiO+ | silicon monoxide cation | 1.516 | 1 | 2 |