Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3LYP/CEP-121G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.566 | 0.053 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiO2 | silicon dioxide | 1.528 |
Highest value | SiH3OH | silanol | 1.676 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiO- | silicon monoxide anion | 1.589 | 1 | 2 |
SiO | Silicon monoxide | 1.530 | 1 | 2 |
SiO+ | silicon monoxide cation | 1.548 | 1 | 2 |
SiH3OH | silanol | 1.676 | 1 | 2 |
SiO2 | silicon dioxide | 1.528 | 1 | 2 |
1.528 | 1 | 3 |