I did some DFT calculations with Gaussian 16 by using mix basis set and I forgot to create a checkpoint file .chk. Is there any way to create ?

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Jürgen Weippert

Is this old discussion helpful?

https://www.researchgate.net/post/Ho_do_I_create_a_checkpoint_file_with_Gaussian_09_from_an_existing_structure_without_redoing_it

Muhammad Bilal Ahmed Siddique

this is not helpfull because i used mix basis set. Jürgen Weippert

Aravindhan Ramachandran

Can you please explain how you used the mix basis set? It is based on the Oniom model or GEN

GENCEP Aravindhan Ramachandran

Ehsan Ullah Rashid

Make a new input from output file and this time save the chk file, the file will get normal termination very quickly and you will get the chkpoint file.