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Re^6: Getting the Error "THE VIBRATIONAL ANALYSIS IS NOT VALID !!! " in RAMAN SPECTRA Calculations...

Adam
adenchfi@hawk.iit.edu


Dear Alex Granovsky,
I'm encountering a similar problem as the previous poster, and I also don't have the VIB 0 GRADENT RMS string in any of my output files for the initial run. My initial run was a Geometry Optimization but I included HSSEND=.T. so it would give me the HESSIAN to use in a Raman analysis. Here are my two output files (one has the $HESS group, the other is the main output with the Geom. Opt.):


On Wed Feb 26 '14 1:31am, Alex Granovsky wrote
----------------------------------------------
>Dear Siddheshwar,

>did you run a hessian job? if yes, could you please attach your
>output file for inspection?

>Kind regards,
>Alex Granovsky
>
>
>On Fri Feb 21 '14 9:42am, Siddheshwar Chopra wrote
>--------------------------------------------------


This message contains the 1019 kb attachment
[ Output_2.out ] I combined the two Output files into one big one by copying/pasting.


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