|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 33.547 | 39.999 | -6.453 |
| CCl4 | Carbon tetrachloride | 7.014 | 10.002 | -2.988 |
| C6H5F | Fluorobenzene | 7.543 | 10.200 | -2.657 |
| CH3Br | methyl bromide | 2.958 | 5.610 | -2.652 |
| C5H5N | Pyridine | 6.934 | 9.493 | -2.559 |
| CFCl3 | Trichloromonofluoromethane | 5.589 | 7.931 | -2.342 |
| CF2Cl2 | difluorodichloromethane | 4.142 | 6.370 | -2.228 |
| CH3SCH3 | Dimethyl sulfide | 5.336 | 7.550 | -2.214 |
| C6H14 | Hexane | 9.413 | 11.447 | -2.034 |
| CF3Cl | Methane, chlorotrifluoro- | 2.751 | 4.740 | -1.989 |
| CH3Cl | Methyl chloride | 2.681 | 4.416 | -1.735 |
| C5H12 | Pentane | 7.848 | 9.579 | -1.730 |
| H2S | Hydrogen sulfide | 1.961 | 3.631 | -1.670 |
| HCl | Hydrogen chloride | 0.945 | 2.515 | -1.570 |
| C3H6 | Cyclopropane | 4.141 | 5.640 | -1.499 |
| CH2F2 | Methane, difluoro- | 1.707 | 3.200 | -1.493 |
| CH2CCH2 | allene | 4.206 | 5.690 | -1.484 |
| Ar | Argon atom | 0.212 | 1.664 | -1.452 |
| CH3CH2CH2CH3 | Butane | 6.261 | 7.688 | -1.427 |
| CH3OCH3 | Dimethyl ether | 3.811 | 5.160 | -1.348 |
| CH3COCH3 | Acetone | 4.754 | 6.096 | -1.343 |
| CH3CH2OH | Ethanol | 3.782 | 5.112 | -1.330 |
| CF4 | Carbon tetrafluoride | 1.502 | 2.824 | -1.322 |
| N2O | Nitrous oxide | 1.752 | 2.998 | -1.245 |
| N(CH3)3 | Trimethylamine | 5.854 | 7.076 | -1.222 |
| CH3NHCH3 | Dimethylamine | 4.286 | 5.447 | -1.161 |
| HCOOH | Formic acid | 2.171 | 3.319 | -1.149 |
| C3H8 | Propane | 4.775 | 5.921 | -1.147 |
| CH3NH2 | methyl amine | 2.630 | 3.754 | -1.123 |
| H2CO | Formaldehyde | 1.770 | 2.770 | -0.999 |
| C2H6 | Ethane | 3.258 | 4.226 | -0.968 |
| CH3CHO | Acetaldehyde | 3.320 | 4.278 | -0.958 |
| CO2 | Carbon dioxide | 1.555 | 2.507 | -0.953 |
| CH3COCH3 | Acetone | 5.146 | 6.096 | -0.951 |
| B | Boron atom | 2.101 | 3.030 | -0.929 |
| CH3OH | Methyl alcohol | 2.224 | 3.081 | -0.857 |
| CH3F | Methyl fluoride | 1.759 | 2.540 | -0.781 |
| N | Nitrogen atom | 0.456 | 1.100 | -0.644 |
| O | Oxygen atom | 0.182 | 0.802 | -0.620 |
| Li | Lithium atom | 23.717 | 24.330 | -0.613 |
| SO2 | Sulfur dioxide | 2.651 | 3.219 | -0.567 |
| Be | Beryllium atom | 5.897 | 5.600 | 0.297 |