Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP=FULL/Def2TZVPP
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.57 | 1.58 | 1.59 | 1.60 | 1.61 | 1.62 | 1.63 | 1.64 | 1.65 | 1.66 | 1.67 | 1.68 | 1.69 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.612 | 0.031 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHF3 | trifluorosilane | 1.575 |
Highest value | SiF5- | silicon pentafluoride anion | 1.671 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HSiF | fluorosilylene | 1.616 | 1 | 2 |
SiH3F | monofluorosilane | 1.602 | 1 | 2 |
SiF2 | Silicon difluoride | 1.605 | 1 | 2 |
1.605 | 1 | 3 | ||
SiH2F2 | difluorosilane | 1.588 | 1 | 2 |
1.588 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.575 | 1 | 3 |
1.575 | 1 | 4 | ||
1.575 | 1 | 5 | ||
SiF5- | silicon pentafluoride anion | 1.671 | 1 | 2 |
1.630 | 1 | 3 | ||
1.630 | 1 | 4 | ||
1.630 | 1 | 5 | ||
1.671 | 1 | 6 |