|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 33.077 | 39.999 | -6.922 |
| Li | Lithium atom | 21.109 | 24.330 | -3.221 |
| CCl4 | Carbon tetrachloride | 7.654 | 10.002 | -2.348 |
| CFCl3 | Trichloromonofluoromethane | 6.120 | 7.931 | -1.811 |
| CH3Br | methyl bromide | 3.826 | 5.610 | -1.784 |
| CF2Cl2 | difluorodichloromethane | 4.628 | 6.370 | -1.743 |
| CH3SCH3 | Dimethyl sulfide | 6.004 | 7.550 | -1.546 |
| CF3Cl | Methane, chlorotrifluoro- | 3.215 | 4.740 | -1.525 |
| C5H5N | Pyridine | 8.113 | 9.493 | -1.380 |
| H2S | Hydrogen sulfide | 2.270 | 3.631 | -1.361 |
| CH3Cl | Methyl chloride | 3.118 | 4.416 | -1.298 |
| HCl | Hydrogen chloride | 1.307 | 2.515 | -1.208 |
| CH2F2 | Methane, difluoro- | 2.003 | 3.200 | -1.197 |
| C2H2 | Acetylene | 2.430 | 3.487 | -1.057 |
| NO2 | Nitrogen dioxide | 1.883 | 2.910 | -1.027 |
| C2H4 | Ethylene | 3.259 | 4.188 | -0.929 |
| N2O | Nitrous oxide | 2.083 | 2.998 | -0.914 |
| CF4 | Carbon tetrafluoride | 1.949 | 2.824 | -0.875 |
| C3H6 | Cyclopropane | 4.782 | 5.640 | -0.858 |
| CH3CH2OH | Ethanol | 4.301 | 5.112 | -0.811 |
| CH3OCH3 | Dimethyl ether | 4.368 | 5.160 | -0.791 |
| CH2CCH2 | allene | 4.938 | 5.690 | -0.752 |
| HCOOH | Formic acid | 2.584 | 3.319 | -0.736 |
| NH3 | Ammonia | 1.378 | 2.103 | -0.725 |
| H2CO | Formaldehyde | 2.086 | 2.770 | -0.683 |
| H2O | Water | 0.827 | 1.501 | -0.674 |
| CH3NH2 | methyl amine | 3.098 | 3.754 | -0.656 |
| O2 | Oxygen diatomic | 0.916 | 1.562 | -0.646 |
| C6H14 | Hexane | 10.806 | 11.447 | -0.641 |
| CO2 | Carbon dioxide | 1.870 | 2.507 | -0.637 |
| NO | Nitric oxide | 1.067 | 1.698 | -0.631 |
| CH3COCH3 | Acetone | 5.528 | 6.096 | -0.568 |
| C5H12 | Pentane | 9.018 | 9.579 | -0.561 |
| CH3OH | Methyl alcohol | 2.531 | 3.081 | -0.550 |
| CH3F | Methyl fluoride | 2.016 | 2.540 | -0.524 |
| CH3NHCH3 | Dimethylamine | 4.945 | 5.447 | -0.503 |
| CH3CH2CH2CH3 | Butane | 7.192 | 7.688 | -0.495 |
| CO | Carbon monoxide | 1.466 | 1.953 | -0.487 |
| C2H6 | Ethane | 3.749 | 4.226 | -0.477 |
| N2 | Nitrogen diatomic | 1.239 | 1.710 | -0.471 |
| CH3CH2CH2CH3 | Butane | 7.251 | 7.688 | -0.437 |
| CH4 | Methane | 2.024 | 2.448 | -0.424 |
| C3H8 | Propane | 5.499 | 5.921 | -0.422 |
| SO2 | Sulfur dioxide | 2.820 | 3.219 | -0.398 |
| CH3CHO | Acetaldehyde | 3.880 | 4.278 | -0.398 |
| HD | Deuterium hydride | 0.458 | 0.791 | -0.332 |
| H2 | Hydrogen diatomic | 0.458 | 0.787 | -0.329 |
| D2 | Deuterium diatomic | 0.458 | 0.783 | -0.325 |
| Na | Sodium atom | 23.814 | 24.110 | -0.296 |
| Be | Beryllium atom | 6.194 | 5.600 | 0.594 |