|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 34.798 | 39.999 | -5.202 |
| CCl4 | Carbon tetrachloride | 6.933 | 10.002 | -3.069 |
| C6H5F | Fluorobenzene | 7.755 | 10.200 | -2.445 |
| C5H5N | Pyridine | 7.143 | 9.493 | -2.350 |
| CFCl3 | Trichloromonofluoromethane | 5.607 | 7.931 | -2.324 |
| C6H14 | Hexane | 9.275 | 11.447 | -2.172 |
| CF2Cl2 | difluorodichloromethane | 4.267 | 6.370 | -2.103 |
| CH3SCH3 | Dimethyl sulfide | 5.450 | 7.550 | -2.100 |
| C5H12 | Pentane | 7.766 | 9.579 | -1.813 |
| CF3Cl | Methane, chlorotrifluoro- | 2.974 | 4.740 | -1.767 |
| CH3Br | methyl bromide | 3.895 | 5.610 | -1.715 |
| Li | Lithium atom | 22.694 | 24.330 | -1.636 |
| H2S | Hydrogen sulfide | 2.132 | 3.631 | -1.498 |
| CH3OCH3 | Dimethyl ether | 3.662 | 5.160 | -1.498 |
| CH3Cl | Methyl chloride | 2.919 | 4.416 | -1.496 |
| CH3CH2CH2CH3 | Butane | 6.232 | 7.688 | -1.456 |
| CH3CH2OH | Ethanol | 3.685 | 5.112 | -1.428 |
| CH2F2 | Methane, difluoro- | 1.777 | 3.200 | -1.423 |
| N(CH3)3 | Trimethylamine | 5.653 | 7.076 | -1.422 |
| CH3CH2CH2CH3 | Butane | 6.269 | 7.688 | -1.419 |
| C2H2 | Acetylene | 2.121 | 3.487 | -1.366 |
| C3H6 | Cyclopropane | 4.277 | 5.640 | -1.363 |
| CH3COCH3 | Acetone | 4.739 | 6.096 | -1.358 |
| HCl | Hydrogen chloride | 1.237 | 2.515 | -1.278 |
| CH3NHCH3 | Dimethylamine | 4.180 | 5.447 | -1.267 |
| C2H4 | Ethylene | 2.943 | 4.188 | -1.244 |
| CH2CCH2 | allene | 4.503 | 5.690 | -1.187 |
| HCOOH | Formic acid | 2.166 | 3.319 | -1.153 |
| C3H8 | Propane | 4.785 | 5.921 | -1.137 |
| CH3NH2 | methyl amine | 2.669 | 3.754 | -1.084 |
| Ar | Argon atom | 0.595 | 1.664 | -1.069 |
| CF4 | Carbon tetrafluoride | 1.797 | 2.824 | -1.027 |
| N2O | Nitrous oxide | 2.016 | 2.998 | -0.981 |
| NO2 | Nitrogen dioxide | 1.940 | 2.910 | -0.970 |
| CH3CHO | Acetaldehyde | 3.314 | 4.278 | -0.964 |
| NH3 | Ammonia | 1.146 | 2.103 | -0.957 |
| H2CO | Formaldehyde | 1.829 | 2.770 | -0.940 |
| C2H6 | Ethane | 3.309 | 4.226 | -0.918 |
| CH3OH | Methyl alcohol | 2.181 | 3.081 | -0.900 |
| CO2 | Carbon dioxide | 1.708 | 2.507 | -0.799 |
| H2O | Water | 0.705 | 1.501 | -0.796 |
| B | Boron atom | 2.250 | 3.030 | -0.780 |
| CH3F | Methyl fluoride | 1.791 | 2.540 | -0.749 |
| CH4 | Methane | 1.800 | 2.448 | -0.648 |
| C | Carbon atom | 1.120 | 1.760 | -0.640 |
| CO | Carbon monoxide | 1.358 | 1.953 | -0.595 |
| NO | Nitric oxide | 1.111 | 1.698 | -0.587 |
| O2 | Oxygen diatomic | 0.982 | 1.562 | -0.579 |
| SO2 | Sulfur dioxide | 2.652 | 3.219 | -0.566 |
| N2 | Nitrogen diatomic | 1.239 | 1.710 | -0.471 |
| O2 | Oxygen diatomic | 1.112 | 1.562 | -0.450 |
| O | Oxygen atom | 0.355 | 0.802 | -0.447 |
| N | Nitrogen atom | 0.662 | 1.100 | -0.438 |
| F | Fluorine atom | 0.245 | 0.557 | -0.312 |
| Ne | Neon atom | 0.180 | 0.381 | -0.201 |
| Be | Beryllium atom | 5.594 | 5.600 | -0.006 |
| Na | Sodium atom | 27.615 | 24.110 | 3.505 |