Hi Arnim,
the first six frequencies are zero and correspond to the translational and rotational modes.
According to the documentation, these should not be counted, or am I wrong here?
Furthermore, I was just wondering, what TM is actually doing, when I select for example an e-mode as transition vector while performing the transition state search in C3v symmetry.
The problem is, that one cannot follow the e-mode without destroying the C3v symmetry. So, what is TM actually doing in this case? Can you comment on that?
(In my simple example, it seems to me that statpt follows the lowest total-symmetric mode for itrvec=1.)
Best,
Christian