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IV.D.7. (XVIII.A.2.) |
| Species | Name | Bond type | Bond Length (Å) | ||
|---|---|---|---|---|---|
| Experimental | Calculated | Difference | |||
| Ne2 | Neon dimer | rNeNe | 3.100 | 2.605 | -0.495 |
| C4H6O2 | 2,3-Butanedione | rCH | 1.114 | 1.537 | 0.423 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.528 | 0.415 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.526 | 0.413 |
| C4H8O2 | 1,3-Dioxane | rCH | 1.095 | 1.405 | 0.310 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.957 | 0.256 |
| B2 | Boron diatomic | rBB | 1.590 | 1.398 | -0.192 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.073 | -0.173 |
| NO3 | Nitrogen trioxide | rNO | 1.238 | 1.379 | 0.142 |
| Na2+ | sodium dimer cation | rNaNa | 3.540 | 3.680 | 0.140 |
| CaCl | calcium monochloride | rClCa | 2.437 | 2.567 | 0.131 |
| N2O3 | Dinitrogen trioxide | rNN | 1.864 | 1.734 | -0.130 |
| CaH | Calcium monohydride | rHCa | 2.003 | 2.118 | 0.115 |
| ClF+ | clorine monofluoride cation | rFCl | 1.448 | 1.561 | 0.113 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.687 | -0.099 |
| CaOH | Calcium monohydroxide | rOCa | 1.976 | 2.071 | 0.095 |
| CuO | Copper Monoxide | rCuO | 1.724 | 1.639 | -0.085 |
| CuF | Copper monofluoride | rCuF | 1.745 | 1.663 | -0.082 |
| KCl | Potassium Chloride | rKCl | 2.667 | 2.743 | 0.076 |
| CaF | Calcuium monofluoride | rFCa | 1.967 | 2.041 | 0.074 |
| C2 | Carbon diatomic | rCC | 1.243 | 1.314 | 0.072 |
| S2Cl2 | Disulfur dichloride | rSS | 1.931 | 2.002 | 0.071 |
| B2 | Boron diatomic | rBB | 1.590 | 1.523 | -0.067 |
| CuH | Copper monohydride | rHCu | 1.463 | 1.396 | -0.067 |
| KH | Potassium hydride | rHK | 2.243 | 2.306 | 0.064 |
| NaLi | lithium sodium | rLiNa | 2.889 | 2.950 | 0.061 |
| CH2ClCHCl2 | 1,1,2-trichloroethane | rCC | 1.580 | 1.521 | -0.059 |
| HCF | Fluoromethylene | rCH | 1.138 | 1.084 | -0.054 |
| CH3CHNOH | Acetaldoxime | rCC | 1.550 | 1.497 | -0.053 |
| BrO | Bromine monoxide | rOBr | 1.718 | 1.771 | 0.053 |