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IV.D.7. (XVIII.A.2.) |
| Species | Name | Bond type | Bond Length (Å) | ||
|---|---|---|---|---|---|
| Experimental | Calculated | Difference | |||
| HO2 | Hydroperoxy radical | rOH | 0.971 | 1.829 | 0.858 |
| Mg2 | Magnesium diatomic | rMgMg | 3.891 | 4.569 | 0.678 |
| HO2 | Hydroperoxy radical | rOO | 1.331 | 0.969 | -0.362 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.977 | 0.276 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.501 | -0.200 |
| Na2+ | sodium dimer cation | rNaNa | 3.540 | 3.709 | 0.169 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.084 | -0.162 |
| N2O3 | Dinitrogen trioxide | rNN | 1.864 | 1.736 | -0.128 |
| FO2 | Dioxygen monofluoride | rFO | 1.649 | 1.538 | -0.111 |
| Ne2 | Neon dimer | rNeNe | 3.100 | 3.000 | -0.100 |
| Na2 | Sodium diatomic | rNaNa | 3.079 | 3.178 | 0.099 |
| ClF+ | clorine monofluoride cation | rFCl | 1.448 | 1.546 | 0.097 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.702 | -0.085 |
| CO | Carbon monoxide | rCO | 1.206 | 1.131 | -0.074 |
| CO | Carbon monoxide | rCO | 1.206 | 1.131 | -0.074 |
| BN | boron nitride | rBN | 1.325 | 1.253 | -0.072 |
| C2 | Carbon diatomic | rCC | 1.243 | 1.314 | 0.072 |
| B2 | Boron diatomic | rBB | 1.590 | 1.524 | -0.066 |
| NaLi | lithium sodium | rLiNa | 2.889 | 2.950 | 0.061 |
| S2Cl2 | Disulfur dichloride | rSS | 1.931 | 1.986 | 0.055 |
| HCF | Fluoromethylene | rCH | 1.138 | 1.085 | -0.053 |
| NaF | sodium fluoride | rNaF | 1.926 | 1.978 | 0.052 |