|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 32.647 | 39.999 | -7.352 |
| Li | Lithium atom | 18.454 | 24.330 | -5.876 |
| CCl4 | Carbon tetrachloride | 7.310 | 10.002 | -2.693 |
| C6H5F | Fluorobenzene | 8.084 | 10.200 | -2.116 |
| C5H5N | Pyridine | 7.410 | 9.493 | -2.084 |
| CFCl3 | Trichloromonofluoromethane | 5.945 | 7.931 | -1.986 |
| CH3SCH3 | Dimethyl sulfide | 5.574 | 7.550 | -1.976 |
| CF2Cl2 | difluorodichloromethane | 4.556 | 6.370 | -1.815 |
| C6H14 | Hexane | 9.689 | 11.447 | -1.759 |
| CH3Br | methyl bromide | 3.908 | 5.610 | -1.702 |
| CF3Cl | Methane, chlorotrifluoro- | 3.213 | 4.740 | -1.528 |
| C5H12 | Pentane | 8.089 | 9.579 | -1.490 |
| H2S | Hydrogen sulfide | 2.153 | 3.631 | -1.478 |
| CH3Cl | Methyl chloride | 2.954 | 4.416 | -1.462 |
| Cl | Chlorine atom | 0.833 | 2.180 | -1.347 |
| C2H2 | Acetylene | 2.152 | 3.487 | -1.335 |
| C3H6 | Cyclopropane | 4.364 | 5.640 | -1.276 |
| CH2F2 | Methane, difluoro- | 1.924 | 3.200 | -1.276 |
| CH3OCH3 | Dimethyl ether | 3.895 | 5.160 | -1.265 |
| HCl | Hydrogen chloride | 1.254 | 2.515 | -1.261 |
| C2H4 | Ethylene | 2.936 | 4.188 | -1.252 |
| CH3CH2OH | Ethanol | 3.879 | 5.112 | -1.234 |
| CH3CH2CH2CH3 | Butane | 6.456 | 7.688 | -1.232 |
| CH2CCH2 | allene | 4.492 | 5.690 | -1.198 |
| CH3CH2CH2CH3 | Butane | 6.508 | 7.688 | -1.180 |
| B | Boron atom | 1.933 | 3.030 | -1.097 |
| CH3COCH3 | Acetone | 5.012 | 6.096 | -1.084 |
| N(CH3)3 | Trimethylamine | 6.006 | 7.076 | -1.070 |
| Ar | Argon atom | 0.607 | 1.664 | -1.057 |
| CH3NHCH3 | Dimethylamine | 4.413 | 5.447 | -1.034 |
| C3H8 | Propane | 4.941 | 5.921 | -0.981 |
| CH3NH2 | methyl amine | 2.797 | 3.754 | -0.957 |
| NO2 | Nitrogen dioxide | 1.966 | 2.910 | -0.944 |
| HCOOH | Formic acid | 2.384 | 3.319 | -0.936 |
| NH3 | Ammonia | 1.210 | 2.103 | -0.892 |
| N2O | Nitrous oxide | 2.112 | 2.998 | -0.885 |
| H2CO | Formaldehyde | 1.924 | 2.770 | -0.846 |
| CF4 | Carbon tetrafluoride | 1.985 | 2.824 | -0.840 |
| C2H6 | Ethane | 3.388 | 4.226 | -0.838 |
| C | Carbon atom | 0.959 | 1.760 | -0.801 |
| CH3CHO | Acetaldehyde | 3.498 | 4.278 | -0.780 |
| CH3OH | Methyl alcohol | 2.304 | 3.081 | -0.777 |
| H2O | Water | 0.755 | 1.501 | -0.746 |
| CO2 | Carbon dioxide | 1.835 | 2.507 | -0.673 |
| CH3F | Methyl fluoride | 1.884 | 2.540 | -0.656 |
| CH4 | Methane | 1.828 | 2.448 | -0.620 |
| NO | Nitric oxide | 1.120 | 1.698 | -0.578 |
| CO | Carbon monoxide | 1.405 | 1.953 | -0.548 |
| O2 | Oxygen diatomic | 1.027 | 1.562 | -0.535 |
| N | Nitrogen atom | 0.581 | 1.100 | -0.519 |
| O | Oxygen atom | 0.350 | 0.802 | -0.452 |
| N2 | Nitrogen diatomic | 1.262 | 1.710 | -0.448 |
| Be | Beryllium atom | 5.157 | 5.600 | -0.443 |
| SO2 | Sulfur dioxide | 2.829 | 3.219 | -0.390 |
| F | Fluorine atom | 0.248 | 0.557 | -0.309 |