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Getting the thermochemical properties printed for a desired temperature on RE-RUN...and once hessian has been already computed..

Siddheshwar Chopra
sidhusai@gmail.com


Dear All,
There is a mistake that happened when I ran hessian, followed by printing of thermochemcial properties at various temperatures.. There are some more temperature values for which I need the thermochemistry data.
Now according to the manual, they get printed after hessian calculation. But it would be really time consuming now to re-run for hessian.
Is there any way it could be done in an easier manner? I mean by using the ground state geometry.

Please help.

Kind Regards,


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