I would like to generate a *.sdf file like those posted NIST Chemistry Webbook from a *.log or *.chk Gaussian 16 file and cannot immediately find how to do this. Many thanks for helping me.
To be more specific. I can use e.g.
obabel molec.log -O molec.sdf
but I want to also add to *.sdf information on vibrational frequencies and IR intensities.
Hi Ioan, Gaussview can help you.
Best wishes,
Quang
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