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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 | 2.023 | -0.437 |
| C4H6O2 | 2,3-Butanedione | rCH | 1.114 | 1.541 | 0.427 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.527 | 0.414 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.525 | 0.412 |
| C4H8O2 | 1,3-Dioxane | rCH | 1.095 | 1.402 | 0.307 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.991 | 0.290 |
| Ne2 | Neon dimer | rNeNe | 3.100 | 2.818 | -0.282 |
| B2 | Boron diatomic | rBB | 1.590 | 1.385 | -0.205 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.064 | -0.182 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.635 | -0.152 |
| Na2+ | sodium dimer cation | rNaNa | 3.540 | 3.659 | 0.119 |
| ClF+ | clorine monofluoride cation | rFCl | 1.448 | 1.552 | 0.104 |
| ZnS | Zinc sulfide | rSZn | 2.046 | 2.134 | 0.087 |
| NaK | Sodium Potassium | rNaK | 3.589 | 3.503 | -0.086 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.163 | -0.083 |
| C2 | Carbon diatomic | rCC | 1.243 | 1.323 | 0.080 |
| SeO | Selenium monoxide | rSeO | 1.639 | 1.711 | 0.072 |
| SOCl2 | thionyl chloride | rSCl | 2.076 | 2.141 | 0.065 |
| B2 | Boron diatomic | rBB | 1.590 | 1.526 | -0.064 |
| BrF5 | bromine pentafluoride | rFBr | 1.689 | 1.751 | 0.062 |
| CuH | Copper monohydride | rHCu | 1.463 | 1.402 | -0.060 |
| Se2 | Selenium diatomic | rSeSe | 2.166 | 2.225 | 0.059 |
| SO | Sulfur monoxide | rSO | 1.481 | 1.539 | 0.058 |
| LiCl- | lithium chloride anion | rLiCl | 2.180 | 2.123 | -0.057 |
| NaLi | lithium sodium | rLiNa | 2.889 | 2.941 | 0.052 |
| CuO | Copper Monoxide | rCuO | 1.724 | 1.672 | -0.052 |
| As2 | Arsenic diatomic | rAsAs | 2.103 | 2.154 | 0.051 |