Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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mPW1PW91/aug-cc-pCVTZ
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 |
---|---|
1.607 | 0.037 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiF+ | silicon monofluoride cation | 1.536 |
Highest value | SiF5- | silicon pentafluoride anion | 1.669 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiF | silicon monofluoride | 1.613 | 1 | 2 |
SiF+ | silicon monofluoride cation | 1.536 | 1 | 2 |
SiH3F | monofluorosilane | 1.601 | 1 | 2 |
SiF2 | Silicon difluoride | 1.602 | 1 | 2 |
1.602 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.573 | 1 | 3 |
1.573 | 1 | 4 | ||
1.573 | 1 | 5 | ||
SiF5- | silicon pentafluoride anion | 1.669 | 1 | 2 |
1.628 | 1 | 3 | ||
1.628 | 1 | 4 | ||
1.628 | 1 | 5 | ||
1.669 | 1 | 6 |