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IV.D.7. (XVIII.A.2.) |
| Species | Name | Bond type | Bond Length (Å) | ||
|---|---|---|---|---|---|
| Experimental | Calculated | Difference | |||
| C3H4 | cyclopropene | rCH | 1.088 | 2.486 | 1.398 |
| Mg2 | Magnesium diatomic | rMgMg | 3.891 | 2.552 | -1.338 |
| C3H4 | cyclopropene | rCH | 1.072 | 2.307 | 1.235 |
| C2H5NO3 | Nitric acid, ethyl ester | rCO | 1.430 | 2.346 | 0.916 |
| Be2 | Beryllium diatomic | rBeBe | 2.460 | 1.795 | -0.665 |
| C4H6O2 | 2,3-Butanedione | rCH | 1.114 | 1.537 | 0.423 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.525 | 0.412 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.522 | 0.409 |
| C4H8O2 | 1,3-Dioxane | rCH | 1.095 | 1.411 | 0.316 |
| FO2 | Dioxygen monofluoride | rFO | 1.649 | 1.385 | -0.264 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.950 | 0.249 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.468 | -0.233 |
| B2 | Boron diatomic | rBB | 1.590 | 1.389 | -0.201 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.068 | -0.178 |
| FO | Oxygen monofluoride | rFO | 1.354 | 1.510 | 0.156 |
| NO3 | Nitrogen trioxide | rNO | 1.238 | 1.389 | 0.152 |
| CaOH | Calcium monohydroxide | rOCa | 1.976 | 2.118 | 0.142 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.645 | -0.142 |
| CaCl | calcium monochloride | rClCa | 2.437 | 2.572 | 0.135 |
| CaF | Calcuium monofluoride | rFCa | 1.967 | 2.101 | 0.134 |
| ClFO3 | Perchloryl fluoride | rFCl | 1.598 | 1.712 | 0.114 |
| Na2+ | sodium dimer cation | rNaNa | 3.540 | 3.653 | 0.113 |
| ClF+ | clorine monofluoride cation | rFCl | 1.448 | 1.559 | 0.111 |
| CaH | Calcium monohydride | rHCa | 2.003 | 2.111 | 0.109 |
| Li2 | Lithium diatomic | rLiLi | 2.673 | 2.777 | 0.104 |
| KF | Potassium Fluoride | rKF | 2.171 | 2.272 | 0.100 |
| KCl | Potassium Chloride | rKCl | 2.667 | 2.761 | 0.095 |
| KBr | Potassium Bromide | rKBr | 2.821 | 2.903 | 0.082 |
| NaLi | lithium sodium | rLiNa | 2.889 | 2.971 | 0.082 |
| PS | phosphorus sulfide | rPS | 1.900 | 1.819 | -0.081 |
| FNO | Nitrosyl fluoride | rNF | 1.512 | 1.592 | 0.080 |
| C2 | Carbon diatomic | rCC | 1.243 | 1.322 | 0.079 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.167 | -0.079 |
| LiO | lithium oxide | rLiO | 1.688 | 1.611 | -0.078 |
| Na2 | Sodium diatomic | rNaNa | 3.079 | 3.152 | 0.073 |
| N2O3 | Dinitrogen trioxide | rNN | 1.864 | 1.935 | 0.071 |
| O2+ | diatomic oxygen cation | rOO | 1.116 | 1.186 | 0.070 |
| CH2SHCH2SH | 1,2-Ethanedithiol | rSH | 1.400 | 1.331 | -0.069 |
| SO | Sulfur monoxide | rSO | 1.481 | 1.549 | 0.068 |
| B2 | Boron diatomic | rBB | 1.590 | 1.523 | -0.067 |
| FNO3 | Fluorine nitrate | rNO | 1.507 | 1.573 | 0.066 |
| CH2ClCHCl2 | 1,1,2-trichloroethane | rCC | 1.580 | 1.516 | -0.064 |
| SO2F2 | Sulfuryl fluoride | rFS | 1.530 | 1.592 | 0.062 |
| CH3CHNOH | Acetaldoxime | rCC | 1.550 | 1.490 | -0.060 |
| SeO | Selenium monoxide | rSeO | 1.639 | 1.699 | 0.059 |
| HCF | Fluoromethylene | rCH | 1.138 | 1.081 | -0.057 |
| SO+ | sulfur monoxide cation | rOS | 1.424 | 1.480 | 0.056 |
| CO | Carbon monoxide | rCO | 1.206 | 1.150 | -0.055 |
| CO | Carbon monoxide | rCO | 1.206 | 1.150 | -0.055 |
| KH | Potassium hydride | rHK | 2.243 | 2.296 | 0.054 |
| C5H10 | 2-Pentene, (E)- | rCC | 1.576 | 1.522 | -0.054 |
| SSO | Disulfur monoxide | rSO | 1.456 | 1.507 | 0.051 |
| ClNO | Nitrosyl chloride | rNCl | 1.975 | 2.026 | 0.051 |