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 | 2.833 | 0.678 |
S4 | Sulfur tetramer | rSS | 1.898 | 2.105 | 0.207 |
S3 | Sulfur trimer | rSS | 1.917 | 2.076 | 0.159 |