Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name | Bond type | Bond Length (Å) | ||
---|---|---|---|---|---|
Experimental | Calculated | Difference | |||
N2 | Nitrogen diatomic | rNN | 1.213 | 1.111 | -0.101 |
N2 | Nitrogen diatomic | rNN | 1.213 | 1.111 | -0.101 |
FSN | Thiazyl fluoride | rFS | 1.643 | 1.744 | 0.101 |
OClO | Chlorine dioxide | rClO | 1.470 | 1.548 | 0.078 |
Cl2 | Chlorine diatomic | rClCl | 1.988 | 2.053 | 0.065 |
SO | Sulfur monoxide | rSO | 1.481 | 1.542 | 0.061 |
SO | Sulfur monoxide | rSO | 1.481 | 1.542 | 0.061 |
ClF | Chlorine monofluoride | rFCl | 1.628 | 1.687 | 0.059 |
Cl2+ | chlorine diatomic cation | rClCl | 1.892 | 1.951 | 0.059 |
SCl | sulfur monochloride | rSCl | 1.975 | 2.032 | 0.057 |
S2N2 | Disulfur dinitride | rNS | 1.642 | 1.695 | 0.053 |
NCl | nitrogen monochloride | rNCl | 1.611 | 1.663 | 0.052 |