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IV.D.7. (XVIII.A.2.) |
| Species | Name | Bond type | Bond Length (Å) | ||
|---|---|---|---|---|---|
| Experimental | Calculated | Difference | |||
| C2H5NO3 | Nitric acid, ethyl ester | rCO | 1.430 | 2.351 | 0.921 |
| Ne2 | Neon dimer | rNeNe | 3.100 | 2.578 | -0.522 |
| Be2 | Beryllium diatomic | rBeBe | 2.460 | 2.014 | -0.446 |
| C4H6O2 | 2,3-Butanedione | rCH | 1.114 | 1.543 | 0.429 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.526 | 0.413 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.523 | 0.410 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 3.027 | 0.326 |
| C4H8O2 | 1,3-Dioxane | rCH | 1.095 | 1.398 | 0.303 |
| Mg2 | Magnesium diatomic | rMgMg | 3.891 | 3.592 | -0.299 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.484 | -0.217 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.052 | -0.194 |
| CaCl | calcium monochloride | rClCa | 2.437 | 2.555 | 0.118 |
| CaH | Calcium monohydride | rHCa | 2.003 | 2.113 | 0.110 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.677 | -0.109 |
| ClF+ | clorine monofluoride cation | rFCl | 1.448 | 1.556 | 0.107 |
| CuO | Copper Monoxide | rCuO | 1.724 | 1.633 | -0.091 |
| CaOH | Calcium monohydroxide | rOCa | 1.976 | 2.061 | 0.085 |
| Li2 | Lithium diatomic | rLiLi | 2.673 | 2.758 | 0.085 |
| LiO | lithium oxide | rLiO | 1.688 | 1.605 | -0.084 |
| Na2+ | sodium dimer cation | rNaNa | 3.540 | 3.621 | 0.081 |
| CuF | Copper monofluoride | rCuF | 1.745 | 1.666 | -0.079 |
| CO | Carbon monoxide | rCO | 1.206 | 1.135 | -0.071 |
| CO | Carbon monoxide | rCO | 1.206 | 1.135 | -0.071 |
| N2O3 | Dinitrogen trioxide | rNN | 1.864 | 1.796 | -0.068 |
| B2 | Boron diatomic | rBB | 1.590 | 1.523 | -0.067 |
| C2 | Carbon diatomic | rCC | 1.243 | 1.308 | 0.066 |
| PCl5 | Phosphorus pentachloride | rPCl | 2.214 | 2.150 | -0.064 |
| CH2ClCHCl2 | 1,1,2-trichloroethane | rCC | 1.580 | 1.517 | -0.063 |
| CaF | Calcuium monofluoride | rFCa | 1.967 | 2.029 | 0.062 |
| CH3CHNOH | Acetaldoxime | rCC | 1.550 | 1.489 | -0.061 |
| BN | boron nitride | rBN | 1.325 | 1.268 | -0.057 |
| CH2SHCH2SH | 1,2-Ethanedithiol | rSH | 1.400 | 1.343 | -0.057 |
| BHCl2 | Borane, dichloro- | rBH | 1.130 | 1.185 | 0.055 |
| ClFO3 | Perchloryl fluoride | rFCl | 1.598 | 1.653 | 0.055 |
| C5H10 | 2-Pentene, (E)- | rCC | 1.576 | 1.522 | -0.054 |
| FNO | Nitrosyl fluoride | rNF | 1.512 | 1.459 | -0.053 |
| B2 | Boron diatomic | rBB | 1.590 | 1.642 | 0.052 |
| KCl | Potassium Chloride | rKCl | 2.667 | 2.719 | 0.052 |
| He2+ | helium dimer cation | rHeHe | 1.081 | 1.131 | 0.050 |