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 | |||
C2H4F2 | 1,2-difluoroethane | rCH | 1.093 | 1.506 | 0.413 |
N2 | Nitrogen diatomic | rNN | 1.213 | 1.108 | -0.105 |
N2 | Nitrogen diatomic | rNN | 1.213 | 1.108 | -0.105 |
Cl2 | Chlorine diatomic | rClCl | 1.988 | 2.050 | 0.062 |
S2 | Sulfur diatomic | rSS | 1.889 | 1.942 | 0.052 |