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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 | 1.978 | -1.005 |
| Be2 | Beryllium diatomic | rBeBe | 2.460 | 2.028 | -0.432 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.977 | 0.276 |
| Mg2 | Magnesium diatomic | rMgMg | 3.891 | 4.056 | 0.165 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.102 | -0.144 |
| ONNO | NO dimer | rNN | 2.236 | 2.129 | -0.107 |
| ClF+ | clorine monofluoride cation | rFCl | 1.448 | 1.551 | 0.103 |
| Na2 | Sodium diatomic | rNaNa | 3.079 | 3.180 | 0.101 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.686 | -0.100 |
| C2 | Carbon diatomic | rCC | 1.243 | 1.320 | 0.078 |
| NaF | sodium fluoride | rNaF | 1.926 | 1.997 | 0.071 |
| CO | Carbon monoxide | rCO | 1.206 | 1.136 | -0.070 |
| CO | Carbon monoxide | rCO | 1.206 | 1.136 | -0.070 |
| NaLi | lithium sodium | rLiNa | 2.889 | 2.951 | 0.062 |
| B2 | Boron diatomic | rBB | 1.590 | 1.529 | -0.061 |
| NaBr | Sodium Bromide | rNaBr | 2.502 | 2.555 | 0.053 |
| NaCl | Sodium Chloride | rNaCl | 2.361 | 2.413 | 0.052 |