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IV.D.7. (XVIII.A.2.) |
| Species | Name | Bond type | Bond Length (Å) | ||
|---|---|---|---|---|---|
| Experimental | Calculated | Difference | |||
| Be2 | Beryllium diatomic | rBeBe | 2.460 | 2.003 | -0.457 |
| Ne2 | Neon dimer | rNeNe | 3.100 | 2.650 | -0.450 |
| C4H6O2 | 2,3-Butanedione | rCH | 1.114 | 1.555 | 0.441 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.534 | 0.421 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.530 | 0.417 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 3.085 | 0.384 |
| C4H8O2 | 1,3-Dioxane | rCH | 1.095 | 1.407 | 0.312 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.063 | -0.183 |
| ClF+ | clorine monofluoride cation | rFCl | 1.448 | 1.578 | 0.130 |
| ZnS | Zinc sulfide | rSZn | 2.046 | 2.174 | 0.127 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.681 | -0.106 |
| SOCl2 | thionyl chloride | rSCl | 2.076 | 2.169 | 0.093 |
| NaK | Sodium Potassium | rNaK | 3.589 | 3.502 | -0.087 |
| BrF5 | bromine pentafluoride | rFBr | 1.689 | 1.767 | 0.078 |
| B2 | Boron diatomic | rBB | 1.590 | 1.518 | -0.072 |
| He2+ | helium dimer cation | rHeHe | 1.081 | 1.150 | 0.070 |
| Na2+ | sodium dimer cation | rNaNa | 3.540 | 3.607 | 0.067 |
| SCl2 | Sulfur dichloride | rSCl | 2.014 | 2.078 | 0.064 |
| BrF3 | Bromine trifluoride | rFBr | 1.721 | 1.784 | 0.063 |
| C2 | Carbon diatomic | rCC | 1.243 | 1.306 | 0.063 |
| BN | boron nitride | rBN | 1.325 | 1.264 | -0.061 |
| SO2F2 | Sulfuryl fluoride | rFS | 1.530 | 1.591 | 0.061 |
| BrCl | Bromine monochloride | rClBr | 2.136 | 2.196 | 0.060 |
| H2+ | Hydrogen cation | rHH | 1.052 | 1.108 | 0.056 |
| Cl2+ | chlorine diatomic cation | rClCl | 1.892 | 1.947 | 0.056 |