|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.
|Posted on Wednesday, July 26, 2017 - 12:48 pm: |
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.