Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
CCSD(T)=FULL/aug-cc-pVQZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.761 | 0.072 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiC- | silicon monocarbide anion | 1.671 |
Highest value | SiC2 | Silicon dicarbide | 1.831 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiC- | silicon monocarbide anion | 1.671 | 1 | 2 |
SiC | silicon monocarbide | 1.711 | 1 | 2 |
SiC2 | Silicon dicarbide | 1.831 | 1 | 2 |
1.831 | 1 | 3 |