Table 1.
Molecular properties used in calculations.
| Gas | Mass Daltons |
Bond Length pm |
Principal Moments of Inertia Ia, Ib, Ic ×1040 g cm2 | Vibration Frequencies cm−1 | Degeneracy | Multiplicity Symmetry Qe, Rotational Symmetry σ |
|---|---|---|---|---|---|---|
| H | 1.008 | - | - | - | - | |
| H2 | 2.016 | 74 | - | 4161 | - | 1, 2 |
| N2 | 28.014 | 110 | - | 2358 | - | 1, 2 |
| O2 | 16 + 16 = 32 | 121 | - | 1580 | 1 | 3, 2 |
| NH3 | 14 + 1 + 1 + 1 = 17 | 101 101 101 |
2.9638 2.9638 4.5176 |
3337 950 3447 1627 |
1 1 1 1 |
1, 3 |
| CO2 | 16 + 12 + 16 = 44 | 122 + 122 = 244 |
Linear | 1388 667 2349 |
1 2 1 |
1, 2 |
| H2O | 16 + 1 + 1 = 18 | 74 | 1.024 | 3652 | 1 | 1, 2 |
| 74 | 1.920 | 1595 | 1 | |||
| 2.947 | 3756 | 1 | ||||
| N2O | 14 + 14 + 16 = 44 | NN 112 NO 119 |
Linear | 2224 1285 589 |
1 1 2 |
1, 1 |
| CH4 | 12 + 1 + 1 + 1 + 1 = 16 | 108 108 108 108 |
5.27 5.27 5.27 |
2914 1526 3020 1306 |
1 2 3 3 |
1, 12 |
Most of the data given is from Aylward and Findlay [17].