|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 31.831 | 39.999 | -8.169 |
| Li | Lithium atom | 20.531 | 24.330 | -3.799 |
| CCl4 | Carbon tetrachloride | 7.287 | 10.002 | -2.715 |
| C6H5F | Fluorobenzene | 8.083 | 10.200 | -2.117 |
| C5H5N | Pyridine | 7.411 | 9.493 | -2.083 |
| CH3SCH3 | Dimethyl sulfide | 5.549 | 7.550 | -2.001 |
| CFCl3 | Trichloromonofluoromethane | 5.937 | 7.931 | -1.994 |
| C6H14 | Hexane | 9.578 | 11.447 | -1.869 |
| CF2Cl2 | difluorodichloromethane | 4.562 | 6.370 | -1.808 |
| CH3Br | methyl bromide | 3.905 | 5.610 | -1.705 |
| C5H12 | Pentane | 8.000 | 9.579 | -1.579 |
| CF3Cl | Methane, chlorotrifluoro- | 3.227 | 4.740 | -1.514 |
| H2S | Hydrogen sulfide | 2.148 | 3.631 | -1.483 |
| CH3Cl | Methyl chloride | 2.949 | 4.416 | -1.467 |
| C3H6 | Cyclopropane | 4.338 | 5.640 | -1.302 |
| CH3CH2CH2CH3 | Butane | 6.390 | 7.688 | -1.297 |
| CH3OCH3 | Dimethyl ether | 3.872 | 5.160 | -1.288 |
| CH2F2 | Methane, difluoro- | 1.924 | 3.200 | -1.276 |
| HCl | Hydrogen chloride | 1.251 | 2.515 | -1.264 |
| CH3CH2OH | Ethanol | 3.853 | 5.112 | -1.259 |
| CH2CCH2 | allene | 4.459 | 5.690 | -1.231 |
| CH3COCH3 | Acetone | 4.958 | 6.096 | -1.138 |
| N(CH3)3 | Trimethylamine | 5.950 | 7.076 | -1.126 |
| B | Boron atom | 1.953 | 3.030 | -1.077 |
| CH3NHCH3 | Dimethylamine | 4.378 | 5.447 | -1.069 |
| Ar | Argon atom | 0.601 | 1.664 | -1.063 |
| C3H8 | Propane | 4.890 | 5.921 | -1.031 |
| CH3NH2 | methyl amine | 2.782 | 3.754 | -0.971 |
| CH3COCH3 | Acetone | 5.146 | 6.096 | -0.950 |
| HCOOH | Formic acid | 2.411 | 3.319 | -0.909 |
| C2H6 | Ethane | 3.357 | 4.226 | -0.869 |
| H2CO | Formaldehyde | 1.923 | 2.770 | -0.846 |
| N2O | Nitrous oxide | 2.171 | 2.998 | -0.827 |
| CF4 | Carbon tetrafluoride | 2.004 | 2.824 | -0.820 |
| CH3CHO | Acetaldehyde | 3.481 | 4.278 | -0.797 |
| C | Carbon atom | 0.971 | 1.760 | -0.789 |
| CH3OH | Methyl alcohol | 2.296 | 3.081 | -0.785 |
| CH3F | Methyl fluoride | 1.875 | 2.540 | -0.665 |
| CO2 | Carbon dioxide | 1.892 | 2.507 | -0.615 |
| O2 | Oxygen diatomic | 0.962 | 1.562 | -0.600 |
| N | Nitrogen atom | 0.587 | 1.100 | -0.513 |
| O | Oxygen atom | 0.350 | 0.802 | -0.452 |
| Be | Beryllium atom | 5.174 | 5.600 | -0.426 |
| SO2 | Sulfur dioxide | 2.927 | 3.219 | -0.292 |