[molpro-user] AIMS trajectory starting from saddle point

Gabriel Freitas gabrielnfreitas at gmail.com
Thu Aug 8 03:05:19 BST 2013

Dear molpro developers/users,

When I try to run AIMS trajectories starting from saddle point geometries,
I put only the real modes of vibration in 'FrequenciesMP.dat', but get the
following error message:

 Found FrequenciesMP.dat
 Error in FrequenciesMP.dat
 Number of frequencies =/= 3N-6
 In DieError...
 Error in ReadFreq

Is there any way to avoid it? I would just add the imaginary modes in the
list as if they were real vibrations?

Thanks in advance,

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