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December 12, 2019

Save .fchk file Log Out | Topics | Search
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WebMO Support Forum » Running WebMO Jobs » View Molecular Orbitals » Save .fchk file « Previous Next »

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Kim Mulllane
Unregistered guest
Posted on Tuesday, July 18, 2017 - 5:32 pm:   

How do you save an .fchk file from a job? I know how to save a .chk file, but this isn't useful for visualizing MOs in programs like chem craft. Also, if I try to use Gaussian in PuTTY to formchk the .chk file I get a "Segmentation fault" error.
Anonymous
 
Posted on Wednesday, July 26, 2017 - 12:48 pm:   

Kim,
1. Add the gaussian keyword "formcheck" to the route section
2. and use pop=(nbo,savenbos)
When the job finishes, download the job archive, expand it, and open the formatted checkpoint file Test.Fchk with your program. This works with GaussView 5.0 anyway.

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