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 | 1.102 | -0.110 |
N2 | Nitrogen diatomic | rNN | 1.213 | 1.102 | -0.110 |
Na2 | Sodium diatomic | rNaNa | 3.079 | 3.184 | 0.105 |
NCl | nitrogen monochloride | rNCl | 1.611 | 1.667 | 0.056 |
BH3CO | Borane carbonyl | rBC | 1.534 | 1.588 | 0.054 |
BH3CO | Borane carbonyl | rBC | 1.534 | 1.588 | 0.054 |
LiCl | lithium chloride | rLiCl | 2.021 | 2.072 | 0.051 |