Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/cc-pV(D+d)Z
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.63 | 1.63 | 1.64 | 1.64 | 1.65 | 1.65 | 1.66 | 1.66 | 1.67 | 1.67 | 1.68 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.650 | 0.015 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | S2F2 | Thio-thionyl fluoride | 1.634 |
Highest value | FSN | Thiazyl fluoride | 1.673 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FSN | Thiazyl fluoride | 1.673 | 1 | 3 |
FSSF | Difluorodisulfane | 1.655 | 1 | 3 |
1.655 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.634 | 1 | 3 |
1.634 | 1 | 4 |