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IV.D.7. (XVIII.A.2.) |
| Species | Name | Bond type | Bond Length (Å) | ||
|---|---|---|---|---|---|
| Experimental | Calculated | Difference | |||
| CaF | Calcuium monofluoride | rFCa | 1.967 | 4.079 | 2.112 |
| NaLi | lithium sodium | rLiNa | 2.889 | 2.454 | -0.435 |
| SF4 | Sulfur tetrafluoride | rSF | 1.545 | 1.756 | 0.211 |
| SOCl2 | thionyl chloride | rSCl | 2.076 | 2.281 | 0.205 |
| NaBr | Sodium Bromide | rNaBr | 2.502 | 2.318 | -0.184 |
| CaCl | calcium monochloride | rClCa | 2.437 | 2.591 | 0.154 |
| N2O3 | Dinitrogen trioxide | rNN | 1.864 | 1.719 | -0.145 |
| N2O3 | Dinitrogen trioxide | rNO | 1.142 | 1.270 | 0.128 |
| SeO2 | Selenium dioxide | rSeO | 1.607 | 1.734 | 0.127 |
| LiBr | Lithium Bromide | rLiBr | 2.170 | 2.045 | -0.125 |
| HN3 | hydrogen azide | rNH | 0.975 | 1.091 | 0.116 |
| SF4 | Sulfur tetrafluoride | rSF | 1.646 | 1.756 | 0.110 |
| C4H8O2 | Ethyl acetate | rCO | 1.345 | 1.446 | 0.101 |
| SOCl2 | thionyl chloride | rSO | 1.443 | 1.541 | 0.098 |
| N2O3 | Dinitrogen trioxide | rNO | 1.202 | 1.298 | 0.096 |
| N2H2 | trans-diazine | rNN | 1.252 | 1.345 | 0.094 |
| FCN | Cyanogen fluoride | rCF | 1.262 | 1.351 | 0.089 |
| CaH | Calcium monohydride | rHCa | 2.003 | 2.091 | 0.088 |
| CH2O2 | Dioxirane | rCO | 1.388 | 1.473 | 0.085 |
| N2O3 | Dinitrogen trioxide | rNO | 1.217 | 1.296 | 0.079 |
| HOBr | Hypobromous acid | rOH | 0.961 | 1.040 | 0.079 |
| CaOH | Calcium monohydroxide | rHO | 0.930 | 1.007 | 0.077 |
| HCNO | fulminic acid | rNO | 1.199 | 1.275 | 0.076 |
| HOBr | Hypobromous acid | rBrO | 1.834 | 1.909 | 0.075 |
| HFCO | formyl fluoride | rCO | 1.181 | 1.254 | 0.073 |
| HCCF | Fluoroacetylene | rCF | 1.279 | 1.351 | 0.072 |
| HN3 | hydrogen azide | rNN | 1.133 | 1.204 | 0.071 |
| N2H2 | trans-diazine | rNH | 1.028 | 1.099 | 0.070 |
| CH2NN | diazomethane | rNN | 1.139 | 1.208 | 0.069 |
| CaOH | Calcium monohydroxide | rOCa | 1.976 | 2.045 | 0.069 |
| C2H5F | fluoroethane | rCC | 1.505 | 1.573 | 0.068 |
| C3H8O2 | 1,3-Propanediol | rCO | 1.410 | 1.478 | 0.068 |
| CH2CHOH | ethenol | rOH | 0.960 | 1.028 | 0.068 |
| NH2CN | cyanamide | rNH | 1.001 | 1.068 | 0.067 |
| C2HF3 | Trifluoroethylene | rCF | 1.316 | 1.382 | 0.066 |
| Li2O | dilithium oxide | rLiO | 1.606 | 1.542 | -0.064 |
| CH2CHCHO | Acrolein | rCC | 1.470 | 1.533 | 0.063 |
| HCNO | fulminic acid | rHC | 1.027 | 1.090 | 0.063 |
| S8 | Octasulfur | rSS | 2.059 | 2.121 | 0.062 |
| C3H2N2 | Malononitrile | rCC | 1.459 | 1.521 | 0.061 |
| C3H8O2 | 1,3-Propanediol | rCC | 1.514 | 1.572 | 0.058 |
| HCCCN | Cyanoacetylene | rCC | 1.376 | 1.433 | 0.057 |
| CH2CHOH | ethenol | rCO | 1.372 | 1.428 | 0.056 |
| C4H8O2 | Ethyl acetate | rCO | 1.203 | 1.258 | 0.055 |
| C6H6 | Fulvene | rCC | 1.470 | 1.524 | 0.054 |
| Se2 | Selenium diatomic | rSeSe | 2.166 | 2.219 | 0.053 |
| FCN | Cyanogen fluoride | rCN | 1.159 | 1.211 | 0.052 |
| CH2CHCHO | Acrolein | rCO | 1.219 | 1.271 | 0.052 |
| CH3NC | methyl isocyanide | rCN | 1.426 | 1.477 | 0.051 |
| C2H2F2 | Ethene, 1,2-difluoro-, (Z)- | rCF | 1.335 | 1.386 | 0.051 |
| HCCCN | Cyanoacetylene | rCN | 1.161 | 1.211 | 0.050 |