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 | 1.099 | -0.113 |
N2 | Nitrogen diatomic | rNN | 1.213 | 1.099 | -0.113 |
Li2 | Lithium diatomic | rLiLi | 2.673 | 2.725 | 0.052 |
FSN | Thiazyl fluoride | rFS | 1.643 | 1.694 | 0.051 |