Table 1.
Calculated molecular parameters.
| Parameter | Value | Parameter | Value |
|---|---|---|---|
| χ2 | 249.7 | χ3 | 244.4 |
| θ2 | 2.7 | θ3 | 4.2 |
| ϕ2 | 69.7 | ϕ3 | 66.5 |
| AIn | 1.618 | AOut | 1.742 |
| BIn | 0.329 | BOut | 0.314 |
| CIn | 0.288 | COut | 0.286 |
 |
1.164 |  |
1.054 |
 |
– |
 |
0.107 |
 |
2.491 |  |
2.538 |
Notes. Eulerian-type angles, in degrees, involved in the rotational dependence of the tunneling matrix elements, the rotational constants, in cm−1, and the dipole moments components, in Debye, are listed for the In and Out conformations. For symmetry reason, the relation χ2 = ϕ2 + π is fulfilled and 
is zero. Superscripted In and Out labels identify the rotational constants and dipole moment components.
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