|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 34.335 | 39.999 | -5.665 |
| CCl4 | Carbon tetrachloride | 7.625 | 10.002 | -2.378 |
| Li | Lithium atom | 22.133 | 24.330 | -2.197 |
| CFCl3 | Trichloromonofluoromethane | 6.074 | 7.931 | -1.857 |
| CF2Cl2 | difluorodichloromethane | 4.564 | 6.370 | -1.807 |
| CH3Br | methyl bromide | 3.852 | 5.610 | -1.758 |
| CF3Cl | Methane, chlorotrifluoro- | 3.154 | 4.740 | -1.587 |
| CH3SCH3 | Dimethyl sulfide | 5.997 | 7.550 | -1.553 |
| C6H5F | Fluorobenzene | 8.730 | 10.200 | -1.470 |
| C5H5N | Pyridine | 8.033 | 9.493 | -1.460 |
| Cl | Chlorine atom | 0.721 | 2.180 | -1.459 |
| CH3Cl | Methyl chloride | 3.098 | 4.416 | -1.318 |
| H2S | Hydrogen sulfide | 2.326 | 3.631 | -1.304 |
| CH2F2 | Methane, difluoro- | 1.938 | 3.200 | -1.262 |
| HCl | Hydrogen chloride | 1.322 | 2.515 | -1.193 |
| Ar | Argon atom | 0.521 | 1.664 | -1.143 |
| C2H2 | Acetylene | 2.463 | 3.487 | -1.024 |
| NO2 | Nitrogen dioxide | 1.952 | 2.910 | -0.958 |
| CH3OCH3 | Dimethyl ether | 4.244 | 5.160 | -0.916 |
| CF4 | Carbon tetrafluoride | 1.911 | 2.824 | -0.913 |
| C2H4 | Ethylene | 3.287 | 4.188 | -0.900 |
| CH3CH2OH | Ethanol | 4.231 | 5.112 | -0.881 |
| N2O | Nitrous oxide | 2.131 | 2.998 | -0.867 |
| C3H6 | Cyclopropane | 4.789 | 5.640 | -0.851 |
| C6H14 | Hexane | 10.637 | 11.447 | -0.810 |
| HCOOH | Formic acid | 2.533 | 3.319 | -0.786 |
| CH2CCH2 | allene | 4.955 | 5.690 | -0.735 |
| H2CO | Formaldehyde | 2.042 | 2.770 | -0.728 |
| B | Boron atom | 2.328 | 3.030 | -0.702 |
| NH3 | Ammonia | 1.404 | 2.103 | -0.698 |
| C5H12 | Pentane | 8.896 | 9.579 | -0.683 |
| CH3NH2 | methyl amine | 3.074 | 3.754 | -0.679 |
| CH3COCH3 | Acetone | 5.441 | 6.096 | -0.655 |
| C | Carbon atom | 1.110 | 1.760 | -0.650 |
| CO2 | Carbon dioxide | 1.865 | 2.507 | -0.642 |
| H2O | Water | 0.867 | 1.501 | -0.634 |
| CH3NHCH3 | Dimethylamine | 4.848 | 5.447 | -0.599 |
| O2 | Oxygen diatomic | 0.973 | 1.562 | -0.589 |
| CH3OH | Methyl alcohol | 2.492 | 3.081 | -0.589 |
| NO | Nitric oxide | 1.111 | 1.698 | -0.587 |
| CH3F | Methyl fluoride | 1.968 | 2.540 | -0.572 |
| CH3CH2CH2CH3 | Butane | 7.116 | 7.688 | -0.572 |
| CH3CH2CH2CH3 | Butane | 7.174 | 7.688 | -0.514 |
| O | Oxygen atom | 0.290 | 0.802 | -0.512 |
| N | Nitrogen atom | 0.605 | 1.100 | -0.495 |
| C2H6 | Ethane | 3.739 | 4.226 | -0.487 |
| CH3CHO | Acetaldehyde | 3.807 | 4.278 | -0.471 |
| C3H8 | Propane | 5.460 | 5.921 | -0.462 |
| CO | Carbon monoxide | 1.513 | 1.953 | -0.440 |
| N2 | Nitrogen diatomic | 1.286 | 1.710 | -0.424 |
| N(CH3)3 | Trimethylamine | 6.652 | 7.076 | -0.424 |
| CH4 | Methane | 2.028 | 2.448 | -0.420 |
| F | Fluorine atom | 0.151 | 0.557 | -0.406 |
| SO2 | Sulfur dioxide | 2.852 | 3.219 | -0.367 |
| HD | Deuterium hydride | 0.447 | 0.791 | -0.343 |
| H2 | Hydrogen diatomic | 0.447 | 0.787 | -0.340 |
| D2 | Deuterium diatomic | 0.447 | 0.783 | -0.336 |
| Na | Sodium atom | 24.098 | 24.110 | -0.011 |
| Be | Beryllium atom | 6.276 | 5.600 | 0.676 |