|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 31.230 | 39.999 | -8.770 |
| Li | Lithium atom | 18.725 | 24.330 | -5.605 |
| CCl4 | Carbon tetrachloride | 7.354 | 10.002 | -2.649 |
| C6H5F | Fluorobenzene | 8.047 | 10.200 | -2.153 |
| C5H5N | Pyridine | 7.391 | 9.493 | -2.103 |
| CFCl3 | Trichloromonofluoromethane | 5.987 | 7.931 | -1.944 |
| CH3SCH3 | Dimethyl sulfide | 5.656 | 7.550 | -1.894 |
| CF2Cl2 | difluorodichloromethane | 4.576 | 6.370 | -1.794 |
| C6H14 | Hexane | 9.666 | 11.447 | -1.781 |
| CH3Br | methyl bromide | 3.898 | 5.610 | -1.712 |
| CF3Cl | Methane, chlorotrifluoro- | 3.213 | 4.740 | -1.528 |
| C5H12 | Pentane | 8.100 | 9.579 | -1.479 |
| H2S | Hydrogen sulfide | 2.197 | 3.631 | -1.434 |
| CH3Cl | Methyl chloride | 3.003 | 4.416 | -1.413 |
| C2H2 | Acetylene | 2.156 | 3.487 | -1.331 |
| CH2F2 | Methane, difluoro- | 1.930 | 3.200 | -1.270 |
| C3H6 | Cyclopropane | 4.379 | 5.640 | -1.261 |
| CH3OCH3 | Dimethyl ether | 3.908 | 5.160 | -1.252 |
| C2H4 | Ethylene | 2.936 | 4.188 | -1.251 |
| HCl | Hydrogen chloride | 1.285 | 2.515 | -1.230 |
| CH2CCH2 | allene | 4.461 | 5.690 | -1.229 |
| CH3CH2OH | Ethanol | 3.886 | 5.112 | -1.227 |
| CH3CH2CH2CH3 | Butane | 6.467 | 7.688 | -1.221 |
| CH3COCH3 | Acetone | 4.982 | 6.096 | -1.114 |
| N(CH3)3 | Trimethylamine | 5.995 | 7.076 | -1.080 |
| Ar | Argon atom | 0.615 | 1.664 | -1.049 |
| B | Boron atom | 1.999 | 3.030 | -1.031 |
| CH3NHCH3 | Dimethylamine | 4.427 | 5.447 | -1.020 |
| C3H8 | Propane | 4.957 | 5.921 | -0.964 |
| HCOOH | Formic acid | 2.364 | 3.319 | -0.955 |
| CH3NH2 | methyl amine | 2.807 | 3.754 | -0.947 |
| CH3COCH3 | Acetone | 5.199 | 6.096 | -0.897 |
| N2O | Nitrous oxide | 2.101 | 2.998 | -0.897 |
| NH3 | Ammonia | 1.214 | 2.103 | -0.889 |
| CF4 | Carbon tetrafluoride | 1.960 | 2.824 | -0.865 |
| H2CO | Formaldehyde | 1.916 | 2.770 | -0.853 |
| C2H6 | Ethane | 3.396 | 4.226 | -0.830 |
| CH3CHO | Acetaldehyde | 3.484 | 4.278 | -0.794 |
| C | Carbon atom | 0.969 | 1.760 | -0.791 |
| CH3OH | Methyl alcohol | 2.307 | 3.081 | -0.774 |
| H2O | Water | 0.756 | 1.501 | -0.745 |
| Be | Beryllium atom | 4.884 | 5.600 | -0.716 |
| CO2 | Carbon dioxide | 1.829 | 2.507 | -0.678 |
| CH3F | Methyl fluoride | 1.887 | 2.540 | -0.653 |
| O2 | Oxygen diatomic | 0.956 | 1.562 | -0.605 |
| CH4 | Methane | 1.856 | 2.448 | -0.592 |
| NO | Nitric oxide | 1.112 | 1.698 | -0.586 |
| N | Nitrogen atom | 0.560 | 1.100 | -0.540 |
| N2 | Nitrogen diatomic | 1.249 | 1.710 | -0.461 |
| O | Oxygen atom | 0.363 | 0.802 | -0.439 |
| SO2 | Sulfur dioxide | 2.813 | 3.219 | -0.406 |