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 | |||
N2 | Nitrogen diatomic | rNN | 1.213 | 1.066 | -0.147 |
N2 | Nitrogen diatomic | rNN | 1.213 | 1.066 | -0.147 |
F2 | Fluorine diatomic | rFF | 1.412 | 1.327 | -0.085 |
BH3CO | Borane carbonyl | rBC | 1.534 | 1.612 | 0.078 |
SO | Sulfur monoxide | rOS | 1.500 | 1.439 | -0.061 |
SO | Sulfur monoxide | rOS | 1.500 | 1.439 | -0.061 |