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IV.D.7. (XVIII.A.2.) |
| Species | Name | Bond type | Bond Length (Å) | ||
|---|---|---|---|---|---|
| Experimental | Calculated | Difference | |||
| Mg2 | Magnesium diatomic | rMgMg | 3.891 | 5.249 | 1.358 |
| C2H5NO3 | Nitric acid, ethyl ester | rCO | 1.430 | 2.357 | 0.927 |
| Be2 | Beryllium diatomic | rBeBe | 2.460 | 1.860 | -0.600 |
| C4H6O2 | 2,3-Butanedione | rCH | 1.114 | 1.545 | 0.431 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.530 | 0.417 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.528 | 0.415 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.297 | -0.404 |
| C4H8O2 | 1,3-Dioxane | rCH | 1.095 | 1.411 | 0.316 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.950 | 0.249 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.083 | -0.163 |
| ClF+ | clorine monofluoride cation | rFCl | 1.448 | 1.591 | 0.142 |
| Na2+ | sodium dimer cation | rNaNa | 3.540 | 3.680 | 0.140 |
| CaOH | Calcium monohydroxide | rOCa | 1.976 | 2.114 | 0.138 |
| CaCl | calcium monochloride | rClCa | 2.437 | 2.574 | 0.137 |
| CaF | Calcuium monofluoride | rFCa | 1.967 | 2.097 | 0.130 |
| CaH | Calcium monohydride | rHCa | 2.003 | 2.123 | 0.121 |
| KCl | Potassium Chloride | rKCl | 2.667 | 2.763 | 0.096 |
| KF | Potassium Fluoride | rKF | 2.171 | 2.267 | 0.096 |
| N2O3 | Dinitrogen trioxide | rNN | 1.864 | 1.775 | -0.089 |
| Na2 | Sodium diatomic | rNaNa | 3.079 | 3.166 | 0.087 |
| KBr | Potassium Bromide | rKBr | 2.821 | 2.907 | 0.086 |
| C2 | Carbon diatomic | rCC | 1.243 | 1.321 | 0.079 |
| KH | Potassium hydride | rHK | 2.243 | 2.316 | 0.074 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.174 | -0.072 |
| S2Cl2 | Disulfur dichloride | rSS | 1.931 | 1.998 | 0.067 |
| NaLi | lithium sodium | rLiNa | 2.889 | 2.956 | 0.067 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.720 | -0.067 |
| Li2 | Lithium diatomic | rLiLi | 2.673 | 2.739 | 0.066 |
| BN | boron nitride | rBN | 1.325 | 1.259 | -0.066 |
| B2 | Boron diatomic | rBB | 1.590 | 1.529 | -0.061 |
| CO | Carbon monoxide | rCO | 1.206 | 1.145 | -0.061 |
| CO | Carbon monoxide | rCO | 1.206 | 1.145 | -0.061 |
| MgO | magnesium oxide | rMgO | 1.749 | 1.808 | 0.059 |
| FO2 | Dioxygen monofluoride | rFO | 1.649 | 1.592 | -0.057 |
| OClO | Chlorine dioxide | rClO | 1.470 | 1.525 | 0.055 |
| BrO | Bromine monoxide | rOBr | 1.718 | 1.773 | 0.055 |
| SO2F2 | Sulfuryl fluoride | rFS | 1.530 | 1.584 | 0.054 |
| HCF | Fluoromethylene | rCH | 1.138 | 1.085 | -0.053 |
| NaF | sodium fluoride | rNaF | 1.926 | 1.979 | 0.053 |
| CH3CHNOH | Acetaldoxime | rCC | 1.550 | 1.497 | -0.053 |
| NO3 | Nitrogen trioxide | rNO | 1.238 | 1.290 | 0.052 |
| LiBr | Lithium Bromide | rLiBr | 2.170 | 2.222 | 0.051 |
| PF | phosphorus monofluoride | rPF | 1.593 | 1.643 | 0.050 |