Dear Anindya Borah ,

Have you tried specifying the full path for the folder you want to put the chk file? So, instead of writing %chk=test.chk, try something like %chk=/home/user/chk_files/test.chk. Sometimes this solves the problem, let us know if it doesn't.

Hope you find it helpful

Enrique Manuel Arpa Thank you for the suggestion.

But, unfortunately with that modification the job failed to execute.

Anindya Borah ,

Could you please either attach the input file or write the first two lines of it (the ones indicating the chk path and the job type)? It is possible that there is some error in any of the definitions

Here are the first two lines

%chk=azidestep1_UV.chk

# td=(nstates=30) b3lyp/6-311g(d,p) geom=connectivity

So there is no error in those lines. Can you open the .chk file with GaussView or another program? And just in case, how are you proceeding exactly? I mean, which are the steps you are following? It should be like this:

1) Run the calculation generating the chk file with %chk=file.chk

2) Convert it to fchk with formchk file.chk file.fchk

3) Check that the fchk file is all good

Just to make sure

Enrique Manuel Arpa

Hello,

I have tried the formchk method previously, but it fails to generate any.

This is the error message I get:

Read checkpoint file C:\gaussian files\test\cyanide_dude_IR.chk

Write formatted file C:\gaussian files\test\cyanide_dude_IR.fch

Illegal MolTyp in RwMol1.

P.S: I know its a separate file from before but the problem is the same.

sorry for the confusion.

I have found this webpage where they comment this error. Is this your case, that you generated the chk file with a Gaussian version different to the one you are using formchk from?

https://chat.stackexchange.com/transcript/70169/2018/10/1/0-9

I think that might be the issue, thank you for your help Enrique Manuel Arpa