|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 31.795 | 39.999 | -8.204 |
| CH2F2 | Methane, difluoro- | 2.647 | 3.200 | -0.553 |
| CH3Br | methyl bromide | 5.357 | 5.610 | -0.253 |
| NO2 | Nitrogen dioxide | 2.714 | 2.910 | -0.197 |
| Ar | Argon atom | 1.486 | 1.664 | -0.178 |
| N2O | Nitrous oxide | 2.853 | 2.998 | -0.145 |
| C3H6 | Cyclopropane | 5.512 | 5.640 | -0.128 |
| O | Oxygen atom | 0.678 | 0.802 | -0.124 |
| H2CO | Formaldehyde | 2.651 | 2.770 | -0.118 |
| F | Fluorine atom | 0.447 | 0.557 | -0.110 |
| H2O | Water | 1.404 | 1.501 | -0.097 |
| CF3Cl | Methane, chlorotrifluoro- | 4.645 | 4.740 | -0.095 |
| CH3SCH3 | Dimethyl sulfide | 7.461 | 7.550 | -0.089 |
| HCl | Hydrogen chloride | 2.435 | 2.515 | -0.079 |
| O2 | Oxygen diatomic | 1.484 | 1.562 | -0.078 |
| Ne | Neon atom | 0.304 | 0.381 | -0.077 |
| H2S | Hydrogen sulfide | 3.559 | 3.631 | -0.071 |
| CH3Cl | Methyl chloride | 4.346 | 4.416 | -0.069 |
| N | Nitrogen atom | 1.046 | 1.100 | -0.054 |
| NO | Nitric oxide | 1.652 | 1.698 | -0.047 |
| CH3CH2OH | Ethanol | 5.078 | 5.112 | -0.034 |
| C2H2 | Acetylene | 3.460 | 3.487 | -0.027 |
| CO | Carbon monoxide | 1.928 | 1.953 | -0.025 |
| CH3OCH3 | Dimethyl ether | 5.144 | 5.160 | -0.016 |
| CO2 | Carbon dioxide | 2.498 | 2.507 | -0.009 |
| C2H4 | Ethylene | 4.181 | 4.188 | -0.007 |
| C | Carbon atom | 1.755 | 1.760 | -0.005 |
| CF4 | Carbon tetrafluoride | 2.832 | 2.824 | 0.007 |
| NH3 | Ammonia | 2.117 | 2.103 | 0.014 |
| CH3F | Methyl fluoride | 2.556 | 2.540 | 0.016 |
| H | Hydrogen atom | 0.693 | 0.667 | 0.026 |
| HCOOH | Formic acid | 3.346 | 3.319 | 0.026 |
| H2 | Hydrogen diatomic | 0.814 | 0.787 | 0.027 |
| D2 | Deuterium diatomic | 0.814 | 0.783 | 0.031 |
| N2 | Nitrogen diatomic | 1.754 | 1.710 | 0.044 |
| C5H5N | Pyridine | 9.579 | 9.493 | 0.086 |
| CH4 | Methane | 2.547 | 2.448 | 0.099 |
| CH3OH | Methyl alcohol | 3.209 | 3.081 | 0.128 |
| C2H6 | Ethane | 4.358 | 4.226 | 0.131 |
| CH3NH2 | methyl amine | 3.912 | 3.754 | 0.159 |
| B | Boron atom | 3.205 | 3.030 | 0.175 |
| CF2Cl2 | difluorodichloromethane | 6.550 | 6.370 | 0.179 |
| C6H5F | Fluorobenzene | 10.392 | 10.200 | 0.192 |
| C3H8 | Propane | 6.211 | 5.921 | 0.290 |
| CH3COCH3 | Acetone | 6.394 | 6.096 | 0.298 |
| CH3CH2CH2CH3 | Butane | 7.992 | 7.688 | 0.304 |
| CH3CHO | Acetaldehyde | 4.604 | 4.278 | 0.326 |
| C5H12 | Pentane | 9.953 | 9.579 | 0.375 |
| CH3CH2CH2CH3 | Butane | 8.076 | 7.688 | 0.388 |
| CCl4 | Carbon tetrachloride | 10.392 | 10.002 | 0.390 |
| CH3NHCH3 | Dimethylamine | 5.847 | 5.447 | 0.400 |
| C6H14 | Hexane | 11.850 | 11.447 | 0.403 |
| CH2CCH2 | allene | 6.168 | 5.690 | 0.478 |
| CFCl3 | Trichloromonofluoromethane | 8.473 | 7.931 | 0.542 |
| SO2 | Sulfur dioxide | 3.883 | 3.219 | 0.665 |
| N(CH3)3 | Trimethylamine | 7.859 | 7.076 | 0.784 |