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IV.D.7. (XVIII.A.2.) |
| Species | Name | Bond type | Bond Length (Å) | ||
|---|---|---|---|---|---|
| Experimental | Calculated | Difference | |||
| Ne2 | Neon dimer | rNeNe | 3.100 | 2.527 | -0.573 |
| C4H6O2 | 2,3-Butanedione | rCH | 1.114 | 1.530 | 0.416 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.523 | 0.410 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.519 | 0.406 |
| C4H8O2 | 1,3-Dioxane | rCH | 1.095 | 1.396 | 0.301 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.960 | 0.258 |
| Cu2 | Copper dimer | rCuCu | 2.220 | 1.984 | -0.236 |
| B2 | Boron diatomic | rBB | 1.590 | 1.379 | -0.211 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.058 | -0.188 |
| NaK | Sodium Potassium | rNaK | 3.589 | 3.415 | -0.174 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.624 | -0.162 |
| CuF | Copper monofluoride | rCuF | 1.745 | 1.617 | -0.127 |
| CuCl | Copper monochloride | rCuCl | 2.051 | 1.938 | -0.114 |
| ZnS | Zinc sulfide | rSZn | 2.046 | 2.159 | 0.112 |
| CuH | Copper monohydride | rHCu | 1.463 | 1.368 | -0.095 |
| CaCl | calcium monochloride | rClCa | 2.437 | 2.521 | 0.084 |
| CaH | Calcium monohydride | rHCa | 2.003 | 2.086 | 0.084 |
| ClF+ | clorine monofluoride cation | rFCl | 1.448 | 1.527 | 0.079 |
| B2 | Boron diatomic | rBB | 1.590 | 1.516 | -0.074 |
| C2 | Carbon diatomic | rCC | 1.243 | 1.316 | 0.074 |
| CuO | Copper Monoxide | rCuO | 1.724 | 1.655 | -0.069 |
| NaLi | lithium sodium | rLiNa | 2.889 | 2.822 | -0.067 |
| CBrCl3 | Methane, bromotrichloro- | rCBr | 1.944 | 1.891 | -0.053 |
| Zn(CH3)2 | dimethyl zinc | rZnC | 1.930 | 1.880 | -0.050 |