Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(T)=FULL/aug-cc-pV(T+d)Z
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.58 | 1.59 | 1.60 | 1.61 | 1.62 | 1.63 | 1.64 | 1.65 | 1.66 | 1.67 | 1.68 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.615 | 0.027 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH2F2 | difluorosilane | 1.583 |
Highest value | SiF5- | silicon pentafluoride anion | 1.661 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH3F | monofluorosilane | 1.598 | 1 | 2 |
SiF2 | Silicon difluoride | 1.598 | 1 | 2 |
1.598 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.583 | 1 | 2 |
1.583 | 1 | 3 | ||
SiF5- | silicon pentafluoride anion | 1.661 | 1 | 2 |
1.623 | 1 | 3 | ||
1.623 | 1 | 4 | ||
1.623 | 1 | 5 | ||
1.661 | 1 | 6 |