|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 30.901 | 39.999 | -9.099 |
| Li | Lithium atom | 19.639 | 24.330 | -4.691 |
| CCl4 | Carbon tetrachloride | 7.519 | 10.002 | -2.483 |
| C6H5F | Fluorobenzene | 8.285 | 10.200 | -1.915 |
| C5H5N | Pyridine | 7.590 | 9.493 | -1.904 |
| CH3SCH3 | Dimethyl sulfide | 5.716 | 7.550 | -1.834 |
| CFCl3 | Trichloromonofluoromethane | 6.111 | 7.931 | -1.820 |
| CF2Cl2 | difluorodichloromethane | 4.684 | 6.370 | -1.686 |
| CH3Br | methyl bromide | 3.928 | 5.610 | -1.682 |
| CF3Cl | Methane, chlorotrifluoro- | 3.310 | 4.740 | -1.431 |
| H2S | Hydrogen sulfide | 2.205 | 3.631 | -1.426 |
| CH3Cl | Methyl chloride | 3.002 | 4.416 | -1.414 |
| C6H14 | Hexane | 10.047 | 11.447 | -1.401 |
| HCl | Hydrogen chloride | 1.276 | 2.515 | -1.239 |
| C5H12 | Pentane | 8.382 | 9.579 | -1.197 |
| CH2F2 | Methane, difluoro- | 2.021 | 3.200 | -1.179 |
| C3H6 | Cyclopropane | 4.462 | 5.640 | -1.178 |
| CH2CCH2 | allene | 4.593 | 5.690 | -1.097 |
| CH3OCH3 | Dimethyl ether | 4.093 | 5.160 | -1.066 |
| CH3CH2OH | Ethanol | 4.052 | 5.112 | -1.061 |
| B | Boron atom | 1.971 | 3.030 | -1.059 |
| Ar | Argon atom | 0.609 | 1.664 | -1.055 |
| CH3CH2CH2CH3 | Butane | 6.689 | 7.688 | -0.999 |
| CH3COCH3 | Acetone | 5.184 | 6.096 | -0.913 |
| N2O | Nitrous oxide | 2.144 | 2.998 | -0.854 |
| CH3NH2 | methyl amine | 2.911 | 3.754 | -0.843 |
| CH3NHCH3 | Dimethylamine | 4.630 | 5.447 | -0.817 |
| C3H8 | Propane | 5.110 | 5.921 | -0.811 |
| HCOOH | Formic acid | 2.511 | 3.319 | -0.808 |
| C | Carbon atom | 0.974 | 1.760 | -0.786 |
| CF4 | Carbon tetrafluoride | 2.048 | 2.824 | -0.776 |
| N(CH3)3 | Trimethylamine | 6.305 | 7.076 | -0.771 |
| H2CO | Formaldehyde | 2.015 | 2.770 | -0.754 |
| C2H6 | Ethane | 3.492 | 4.226 | -0.735 |
| CH3OH | Methyl alcohol | 2.410 | 3.081 | -0.671 |
| CO2 | Carbon dioxide | 1.878 | 2.507 | -0.629 |
| CH3CHO | Acetaldehyde | 3.657 | 4.278 | -0.621 |
| CH3F | Methyl fluoride | 1.970 | 2.540 | -0.570 |
| N | Nitrogen atom | 0.588 | 1.100 | -0.512 |
| O | Oxygen atom | 0.352 | 0.802 | -0.450 |
| CH3COCH3 | Acetone | 5.646 | 6.096 | -0.450 |
| SO2 | Sulfur dioxide | 2.909 | 3.219 | -0.310 |
| Be | Beryllium atom | 5.335 | 5.600 | -0.265 |