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 | |||
Na2 | Sodium diatomic | rNaNa | 3.079 | 3.195 | 0.116 |
SO | Sulfur monoxide | rOS | 1.500 | 1.434 | -0.066 |
SO | Sulfur monoxide | rOS | 1.500 | 1.434 | -0.066 |
SO | Sulfur monoxide | rOS | 1.500 | 1.442 | -0.058 |
SO | Sulfur monoxide | rOS | 1.500 | 1.442 | -0.058 |
HOCl | hypochlorous acid | rClO | 1.697 | 1.644 | -0.053 |