Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
|
|
You are here: Calculated > Geometry > Bad Calculations > Bad Calculated Bond Lengths OR Resources > Bad Calculations > Geometry > Bad Calculated Bond Lengths |
Species | Name | Bond type | Bond Length (Å) | ||
---|---|---|---|---|---|
Experimental | Calculated | Difference | |||
FSN | Thiazyl fluoride | rFS | 1.643 | 1.719 | 0.076 |
OClO | Chlorine dioxide | rClO | 1.470 | 1.534 | 0.064 |
SCl | sulfur monochloride | rSCl | 1.975 | 2.029 | 0.053 |
NCl | nitrogen monochloride | rNCl | 1.611 | 1.661 | 0.050 |
Cl2+ | chlorine diatomic cation | rClCl | 1.892 | 1.942 | 0.050 |