CCL: Obtaining dipole derivatives wrt x,y,z axes from a freq calc in g09



 Sent to CCL by: "Dom  Esan" [desan2{=}uic.edu]
 Good day all,
 I was having some issues about how to obtain dipole derivatives with
 respect to the x, y, and z components of the different normal modes in my
 molecule from a g09 calculation. However, going through the ccl.net
 archives, I realized I'd to include iop(7/33=1) with the freq keyword.
 The issue I'm having now is that including iop(7/33=1) for a opt/freq
 calculation does not output the dipole derivatives with respect to the x,
 y, and z components of each mode. Instead, it just gives the intensities
 for each mode. But, if I run a freq calculation alone, everything is fine
 (I get the x, y, and z components).
 My questions:
 - is there a way I can run the opt/freq job with this iop(7/33=1)
 included in the route section and get an output which includes the dipole
 derivatives with respect to the x, y, and z components of the different
 normal modes?
 - if I choose to do an opt/freq calculation then run a freq calculation
 > from the optimized geometry with the iop(7/33=1) option included (so as
 to get the x, y, and z components of the dipole derivatives), the
 frequency calculation often fails (convergence failure) or takes even
 longer to complete than the opt/freq step. What might be wrong here?
 Thanks for your anticipated assistance.