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 | |||
S4 | Sulfur tetramer | rSS | 2.155 | 2.848 | 0.693 |
S4 | Sulfur tetramer | rSS | 1.898 | 2.093 | 0.195 |
BH3CO | Borane carbonyl | rBC | 1.534 | 1.614 | 0.080 |
SO | Sulfur monoxide | rOS | 1.500 | 1.435 | -0.065 |
SO | Sulfur monoxide | rOS | 1.500 | 1.435 | -0.065 |
O2 | Oxygen diatomic | rOO | 1.208 | 1.152 | -0.055 |