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) | ||
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Experimental | Calculated | Difference | |||
HSSSH | trisulfane | rHS | 1.344 | 2.079 | 0.736 |
HSSSH | trisulfane | rHS | 1.344 | 2.079 | 0.736 |
ClF3 | Chlorine trifluoride | rFCl | 1.597 | 1.681 | 0.084 |
ClF3 | Chlorine trifluoride | rFCl | 1.597 | 1.681 | 0.084 |
FSN | Thiazyl fluoride | rFS | 1.643 | 1.718 | 0.075 |
FSSF | Difluorodisulfane | rFS | 1.635 | 1.695 | 0.060 |
OPCl | Phosphorus oxychloride | rPCl | 2.059 | 2.110 | 0.051 |
OClO | Chlorine dioxide | rClO | 1.470 | 1.521 | 0.051 |