Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/cc-pV(D+d)Z
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.62 | 1.63 | 1.63 | 1.64 | 1.64 | 1.65 | 1.65 | 1.66 | 1.66 | 1.67 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.642 | 0.014 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | S2F2 | Thio-thionyl fluoride | 1.626 |
Highest value | FSN | Thiazyl fluoride | 1.663 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FSN | Thiazyl fluoride | 1.663 | 1 | 3 |
FSSF | Difluorodisulfane | 1.647 | 1 | 3 |
1.647 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.626 | 1 | 3 |
1.626 | 1 | 4 |