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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 | 1.975 | -1.008 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.530 | 0.417 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.526 | 0.413 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 3.052 | 0.350 |
| C4H8O2 | 1,3-Dioxane | rCH | 1.095 | 1.404 | 0.309 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.502 | -0.199 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.059 | -0.187 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.674 | -0.112 |
| ClF+ | clorine monofluoride cation | rFCl | 1.448 | 1.547 | 0.098 |
| CO | Carbon monoxide | rCO | 1.206 | 1.124 | -0.082 |
| CO | Carbon monoxide | rCO | 1.206 | 1.124 | -0.082 |
| B2 | Boron diatomic | rBB | 1.590 | 1.515 | -0.075 |
| He2+ | helium dimer cation | rHeHe | 1.081 | 1.145 | 0.065 |
| BN | boron nitride | rBN | 1.325 | 1.261 | -0.064 |
| C2 | Carbon diatomic | rCC | 1.243 | 1.300 | 0.058 |
| Mg2 | Magnesium diatomic | rMgMg | 3.891 | 3.942 | 0.052 |
| LiCl- | lithium chloride anion | rLiCl | 2.180 | 2.129 | -0.051 |
| HCF | Fluoromethylene | rCH | 1.138 | 1.088 | -0.050 |