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|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 35.883 | 39.999 | -4.116 |
| NO2 | Nitrogen dioxide | 1.953 | 2.910 | -0.957 |
| CH2F2 | Methane, difluoro- | 2.645 | 3.200 | -0.555 |
| NO | Nitric oxide | 1.467 | 1.698 | -0.231 |
| O2 | Oxygen diatomic | 1.365 | 1.562 | -0.197 |
| C3H6 | Cyclopropane | 5.501 | 5.640 | -0.139 |
| CH3SCH3 | Dimethyl sulfide | 7.424 | 7.550 | -0.126 |
| CH3OCH3 | Dimethyl ether | 5.038 | 5.160 | -0.122 |
| H2CO | Formaldehyde | 2.668 | 2.770 | -0.102 |
| CH3CH2OH | Ethanol | 5.012 | 5.112 | -0.101 |
| C | Carbon atom | 1.664 | 1.760 | -0.096 |
| C2H4 | Ethylene | 4.140 | 4.188 | -0.048 |
| CF3Cl | Methane, chlorotrifluoro- | 4.699 | 4.740 | -0.041 |
| N | Nitrogen atom | 1.063 | 1.100 | -0.037 |
| H2O | Water | 1.471 | 1.501 | -0.030 |
| O | Oxygen atom | 0.773 | 0.802 | -0.029 |
| C2H2 | Acetylene | 3.466 | 3.487 | -0.020 |
| Cl | Chlorine atom | 2.165 | 2.180 | -0.015 |
| S | Sulfur atom | 2.887 | 2.900 | -0.013 |
| F | Fluorine atom | 0.550 | 0.557 | -0.007 |
| H2 | Hydrogen diatomic | 0.789 | 0.787 | 0.001 |
| CH3F | Methyl fluoride | 2.541 | 2.540 | 0.001 |
| CH3Cl | Methyl chloride | 4.422 | 4.416 | 0.007 |
| CO | Carbon monoxide | 1.975 | 1.953 | 0.022 |
| N2 | Nitrogen diatomic | 1.749 | 1.710 | 0.039 |
| CF4 | Carbon tetrafluoride | 2.878 | 2.824 | 0.054 |
| N2O | Nitrous oxide | 3.056 | 2.998 | 0.058 |
| NH3 | Ammonia | 2.164 | 2.103 | 0.062 |
| CH4 | Methane | 2.514 | 2.448 | 0.066 |
| C2H6 | Ethane | 4.302 | 4.226 | 0.076 |
| Li | Lithium atom | 24.410 | 24.330 | 0.080 |
| HCl | Hydrogen chloride | 2.595 | 2.515 | 0.081 |
| H2S | Hydrogen sulfide | 3.712 | 3.631 | 0.082 |
| HCOOH | Formic acid | 3.411 | 3.319 | 0.091 |
| CH3OH | Methyl alcohol | 3.188 | 3.081 | 0.107 |
| CH3NH2 | methyl amine | 3.889 | 3.754 | 0.135 |
| C5H5N | Pyridine | 9.660 | 9.493 | 0.166 |
| C6H14 | Hexane | 11.644 | 11.447 | 0.197 |
| C3H8 | Propane | 6.118 | 5.921 | 0.197 |
| C5H12 | Pentane | 9.787 | 9.579 | 0.208 |
| CO2 | Carbon dioxide | 2.720 | 2.507 | 0.213 |
| CH3COCH3 | Acetone | 6.312 | 6.096 | 0.216 |
| CF2Cl2 | difluorodichloromethane | 6.602 | 6.370 | 0.231 |
| CH3CH2CH2CH3 | Butane | 7.948 | 7.688 | 0.261 |
| C6H5F | Fluorobenzene | 10.469 | 10.200 | 0.269 |
| CH3CHO | Acetaldehyde | 4.550 | 4.278 | 0.272 |
| CH3NHCH3 | Dimethylamine | 5.737 | 5.447 | 0.290 |
| CH2CCH2 | allene | 6.082 | 5.690 | 0.392 |
| CCl4 | Carbon tetrachloride | 10.434 | 10.002 | 0.431 |
| Be | Beryllium atom | 6.153 | 5.600 | 0.553 |
| N(CH3)3 | Trimethylamine | 7.658 | 7.076 | 0.582 |
| CFCl3 | Trichloromonofluoromethane | 8.524 | 7.931 | 0.594 |
| Mg | Magnesium atom | 11.400 | 10.600 | 0.800 |
| SO2 | Sulfur dioxide | 4.134 | 3.219 | 0.916 |
| K | Potassium atom | 66.647 | 43.400 | 23.247 |