Table 1
Calculated molecular parameters.
| Parameter | Value | Parameter | Value |
|---|---|---|---|
| χ2 | 241.9 | χ3 | 241.3 |
| θ2 | 4.7 | θ3 | 3.7 |
| ∅2 | 61.9 | ∅3 | 68.9 |
| AIn × 10−3 | 47.937 | AOut × 10−3 | 45.149 |
| BIn × 10−3 | 8.784 | BOut × 10−3 | 9.174 |
| CIn × 10−3 | 8.154 | COut × 10−3 | 8.184 |
 |
1.043 |  |
1.136 |
 |
– |  |
0.111 |
 |
2.544 |  |
2.502 |
Notes. The Eulerian-type angles (in degrees) involved in the rotational dependence of the tunnelling matrix elements, the rotational constants (in MHz), and the dipole moments components (in Debye) are listed for the in and Out configurations. For symmetry reasons, the relation 
is fulfilled and 
is zero. Superscripted ‘In’ and ‘Out’ labels identify the rotational constants and dipole moment components.
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