CCL: Trying to get rotational radius (gaussian16)



 Sent to CCL by: "Eduardo  Lemos de Sa" [edulsa(~)ufpr.br]
 Dear
 I stall with a problem to calculate rotational radius in g16(c.01). At
 first, I found in output file:
 Molecular mass:   649.03443 amu.
  Principal axes and moments of inertia in atomic units:
                            1         2         3
      Eigenvalues --  ******************************
            X           -0.18621   0.74195   0.64408
            Y            0.95290  -0.02334   0.30238
            Z           -0.23939  -0.67005   0.70266
  This molecule is an asymmetric top.
 Eigenvalues are written as ***** (I guess, it is a problem with number
 format), but I got principal axes. Is it possible to get eigenvalues from
 this? Other important point: "moments of inertia in atomic units". I
 guess mass are in a.m.u (or is in terms of mass of electron?) and
 distances are in Bohr radio (a_0). Please, am I correct?
 Further, there are lines bellow:
      ==================================================
                Analysis of the Rotor Symmetry
      ==================================================
  Framework Group : C1
  Rotor Type      : Asymmetric Top
  Asymm. param.   : Kappa = -0.406425
  Inertia moments : X=  7180.27334 , Y=  4731.16097 , Z=  6224.04915
  Representation  : IIr Representation, Iy < Iz < Ix
  Axes Definition for the Symmetric-Top Representation
  ----------------------------------------------------
  Axis Z automatically chosen to be collinear with Y from Eckart orient.
  NOTE: In Vibro-rotational analysis, this will be referred to as the
        spectroscopic orientation.
 Please, is possible to get rotation radius from this inertia moments
 (there is no clue about units)? I tried:
 rotat_radius=sqrt(Inertia_X/mass/(a.m.u)) but, as I do not know which are
 the units for Inertia, I do not know if my results are in angstron or
 bohr_radio.
 Please, could you give some hints?
 Thank you in advance for your attention
 Yours
 Eduardo
 Universidade Federal do Parana/Curitiba/Brazil