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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 | 2.045 | -0.415 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.526 | 0.413 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.523 | 0.410 |
| Ne2 | Neon dimer | rNeNe | 3.100 | 3.448 | 0.348 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.999 | 0.297 |
| C4H8O2 | 1,3-Dioxane | rCH | 1.095 | 1.380 | 0.285 |
| B2 | Boron diatomic | rBB | 1.590 | 1.335 | -0.255 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.053 | -0.193 |
| Na2+ | sodium dimer cation | rNaNa | 3.540 | 3.712 | 0.172 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.544 | -0.158 |
| FNO | Nitrosyl fluoride | rNF | 1.512 | 1.387 | -0.125 |
| Na2 | Sodium diatomic | rNaNa | 3.079 | 3.191 | 0.112 |
| Li2 | Lithium diatomic | rLiLi | 2.673 | 2.784 | 0.111 |
| NaLi | lithium sodium | rLiNa | 2.889 | 2.999 | 0.110 |
| CO | Carbon monoxide | rCO | 1.206 | 1.102 | -0.104 |
| CO | Carbon monoxide | rCO | 1.206 | 1.102 | -0.104 |
| HNO2 | Nitrous acid | rNO | 1.442 | 1.343 | -0.099 |
| BN | boron nitride | rBN | 1.325 | 1.231 | -0.094 |
| H2O2 | Hydrogen peroxide | rOO | 1.475 | 1.385 | -0.090 |
| B2 | Boron diatomic | rBB | 1.590 | 1.501 | -0.089 |
| O3 | Ozone | rOO | 1.278 | 1.193 | -0.085 |
| F2 | Fluorine diatomic | rFF | 1.412 | 1.328 | -0.084 |
| CH2O2 | Dioxirane | rOO | 1.516 | 1.433 | -0.082 |
| HOF | Hypofluorous acid | rFO | 1.442 | 1.362 | -0.080 |
| F2O | Difluorine monoxide | rFO | 1.412 | 1.333 | -0.079 |
| BO2 | Boron dioxide | rBO | 1.265 | 1.188 | -0.077 |
| CF3OF | Trifluoromethylhypofluorite | rOF | 1.421 | 1.351 | -0.070 |
| AlO | Aluminum monoxide | rAlO | 1.618 | 1.685 | 0.067 |
| HPO | HPO | rPO | 1.512 | 1.446 | -0.066 |
| HCF | Fluoromethylene | rCH | 1.138 | 1.073 | -0.065 |
| NF2 | Difluoroamino radical | rNF | 1.370 | 1.306 | -0.064 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.724 | -0.062 |
| HNO | Nitrosyl hydride | rNH | 1.090 | 1.030 | -0.060 |
| B3N3H6 | borazine | rHN | 1.050 | 0.991 | -0.059 |
| P2+ | phosphorus dimer cation | rPP | 1.986 | 1.928 | -0.058 |
| NH2OH | hydroxylamine | rNO | 1.453 | 1.395 | -0.058 |
| HOBr | Hypobromous acid | rBrO | 1.834 | 1.778 | -0.056 |
| CH3CH2NH2 | Ethylamine | rNH | 1.052 | 0.998 | -0.054 |
| SeO2 | Selenium dioxide | rSeO | 1.607 | 1.554 | -0.053 |
| ClNO | Nitrosyl chloride | rNCl | 1.975 | 1.924 | -0.051 |
| SeO | Selenium monoxide | rSeO | 1.639 | 1.588 | -0.051 |
| NS+ | nitrogen sulfide cation | rNS | 1.440 | 1.389 | -0.051 |