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IV.D.7. (XVIII.A.2.) |
| Species | Name | Bond type | Bond Length (Å) | ||
|---|---|---|---|---|---|
| Experimental | Calculated | Difference | |||
| H2ONH3 | Water Ammonia Dimer | rNH | 2.983 | 1.958 | -1.025 |
| Be2 | Beryllium diatomic | rBeBe | 2.460 | 2.021 | -0.439 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.275 | -0.426 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.991 | 0.290 |
| Mg2 | Magnesium diatomic | rMgMg | 3.891 | 4.138 | 0.248 |
| B2 | Boron diatomic | rBB | 1.590 | 1.381 | -0.209 |
| Na2+ | sodium dimer cation | rNaNa | 3.540 | 3.711 | 0.171 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.078 | -0.168 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.642 | -0.144 |
| Na2 | Sodium diatomic | rNaNa | 3.079 | 3.177 | 0.098 |
| NaLi | lithium sodium | rLiNa | 2.889 | 2.975 | 0.086 |
| ClF+ | clorine monofluoride cation | rFCl | 1.448 | 1.532 | 0.084 |
| Li2 | Lithium diatomic | rLiLi | 2.673 | 2.750 | 0.077 |
| NS | Mononitrogen monosulfide | rNS | 1.497 | 1.421 | -0.076 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.170 | -0.076 |
| C2 | Carbon diatomic | rCC | 1.243 | 1.317 | 0.074 |
| NaF | sodium fluoride | rNaF | 1.926 | 1.999 | 0.073 |
| PS | phosphorus sulfide | rPS | 1.900 | 1.829 | -0.071 |
| B2 | Boron diatomic | rBB | 1.590 | 1.521 | -0.069 |
| CO | Carbon monoxide | rCO | 1.206 | 1.139 | -0.067 |
| CO | Carbon monoxide | rCO | 1.206 | 1.139 | -0.067 |
| Ne2 | Neon dimer | rNeNe | 3.100 | 3.164 | 0.064 |
| HCF | Fluoromethylene | rCH | 1.138 | 1.082 | -0.056 |
| NaCl | Sodium Chloride | rNaCl | 2.361 | 2.413 | 0.052 |
| NaBr | Sodium Bromide | rNaBr | 2.502 | 2.553 | 0.051 |