|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 32.788 | 39.999 | -7.211 |
| Li | Lithium atom | 19.910 | 24.330 | -4.420 |
| CCl4 | Carbon tetrachloride | 7.333 | 10.002 | -2.670 |
| C6H5F | Fluorobenzene | 8.122 | 10.200 | -2.078 |
| C5H5N | Pyridine | 7.442 | 9.493 | -2.052 |
| CFCl3 | Trichloromonofluoromethane | 5.961 | 7.931 | -1.969 |
| CH3SCH3 | Dimethyl sulfide | 5.594 | 7.550 | -1.956 |
| CF2Cl2 | difluorodichloromethane | 4.571 | 6.370 | -1.800 |
| C6H14 | Hexane | 9.711 | 11.447 | -1.736 |
| CH3Br | methyl bromide | 3.922 | 5.610 | -1.688 |
| CF3Cl | Methane, chlorotrifluoro- | 3.226 | 4.740 | -1.514 |
| C5H12 | Pentane | 8.108 | 9.579 | -1.470 |
| H2S | Hydrogen sulfide | 2.165 | 3.631 | -1.465 |
| CH3Cl | Methyl chloride | 2.959 | 4.416 | -1.457 |
| C3H6 | Cyclopropane | 4.375 | 5.640 | -1.265 |
| CH2F2 | Methane, difluoro- | 1.936 | 3.200 | -1.264 |
| HCl | Hydrogen chloride | 1.255 | 2.515 | -1.260 |
| CH3OCH3 | Dimethyl ether | 3.912 | 5.160 | -1.248 |
| CH3CH2OH | Ethanol | 3.894 | 5.112 | -1.218 |
| CH3CH2CH2CH3 | Butane | 6.477 | 7.688 | -1.211 |
| CH2CCH2 | allene | 4.515 | 5.690 | -1.175 |
| CH3COCH3 | Acetone | 5.008 | 6.096 | -1.088 |
| Ar | Argon atom | 0.606 | 1.664 | -1.058 |
| N(CH3)3 | Trimethylamine | 6.026 | 7.076 | -1.050 |
| CH3NHCH3 | Dimethylamine | 4.430 | 5.447 | -1.018 |
| B | Boron atom | 2.036 | 3.030 | -0.994 |
| C3H8 | Propane | 4.955 | 5.921 | -0.966 |
| CH3NH2 | methyl amine | 2.806 | 3.754 | -0.947 |
| HCOOH | Formic acid | 2.397 | 3.319 | -0.922 |
| N2O | Nitrous oxide | 2.122 | 2.998 | -0.876 |
| CH3COCH3 | Acetone | 5.247 | 6.096 | -0.849 |
| H2CO | Formaldehyde | 1.936 | 2.770 | -0.833 |
| CF4 | Carbon tetrafluoride | 1.996 | 2.824 | -0.828 |
| C2H6 | Ethane | 3.398 | 4.226 | -0.828 |
| CH3OH | Methyl alcohol | 2.314 | 3.081 | -0.767 |
| CH3CHO | Acetaldehyde | 3.515 | 4.278 | -0.763 |
| C | Carbon atom | 1.017 | 1.760 | -0.743 |
| CO2 | Carbon dioxide | 1.844 | 2.507 | -0.663 |
| CH3F | Methyl fluoride | 1.894 | 2.540 | -0.646 |
| O2 | Oxygen diatomic | 0.965 | 1.562 | -0.597 |
| N | Nitrogen atom | 0.612 | 1.100 | -0.488 |
| SO2 | Sulfur dioxide | 2.854 | 3.219 | -0.364 |
| Be | Beryllium atom | 5.428 | 5.600 | -0.172 |