How can I convert Gaussian output file to .fch file without using Gaussian software?

Sunwoo Kang

I never heard that there is a option for converting of .log file to .fchk file.

It is possible to convert .chk file to .fchk file if you have linux version of gaussian (it

involves converting program)

I think that you should check again what you wanna do.

Hope this hlep

Morteza Jamshidi

gaussian -->utilities --> formChk

Mohammad Sayed Alam

pls tell me except gaussian software.

David Kastner

Did you find out how to do it? The reason this is a good question is because often Gaussian is running on a super computing cluster and there is no GUI to click utilities.

Wei Tiejun

Hi all,

As far as I know from Gaussian website: gaussian.com/utils/

You can only convert chk files. Using formchk function, as above.

If on cluster, try below:

$ module load gaussian09/03/16

$ formchk

the details can be found on website attached.

Best,

Mohammad Sayed Alam

Thanks Mr. Wei.

Suresh Kumar

Just type on the terminal where installed Gaussian:

For example

formchk 123.chk 123.fchk

You can open fchk file by GaussView

Amal Alageel

I tried to convert the file from chk to f chk

but there is an error

could please tell me what is wrong ?\

(Read checkpoint file Bortd.chk

Write formatted file Bortd.fchk

Missing data for FChkPn.

Error termination via Lnk1e at Tue Jun 12 05:24:18 2018.

Segmentation fault)

Md Al Mamunur Rashid

Dear Sunwoo Kang

When I am converting the .chk file to .fchk file, unfortunately it is not opening in the gaussview. I am using the gaussian 16 and gaussview 6. Also, it is showing the following:

[mamun@alpha3 FC]$ formchk 78_GS_pop.chk 78_GS_pop.fchk

Read checkpoint file 78_GS_pop.chk

Write formatted file 78_GS_pop.fchk

Initial coordinates match /B/.

Warning: fchk array MicOpt element 1 has value 4622945017495814144 set to -1.

Warning: fchk array MicOpt element 2 has value 4629692555847425317 set to -1.

Warning: fchk array MicOpt element 3 has value 4622945017495814144 set to -1.

Warning: fchk array MicOpt element 4 has value 4622945017495814144 set to -1.

Warning: fchk array MicOpt element 5 has value 4622945017495814144 set to -1.

Warning: fchk array MicOpt element 6 has value 4607217659633734768 set to -1.

Warning: fchk array MicOpt element 7 has value 4622945017495814144 set to -1.

Warning: fchk array MicOpt element 8 has value 4607217659633734768 set to -1.

and the following error message(attach file) is coming when I am trying to open the .fchk file in Gaussview.

Can you please suggest something?

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