I am trying to perform NBO analysis with relaxed density matrix with the open-source program JANPA. I am following the guide here. The first step is to get the NBO input .47 file from Orca v4.2.1. The guide says that I should request NBO analysis with Orca in absence of the actual NBO executable to get the .47 file.
So I set the GENEXE and NBOEXE environment variables to dummy exe files that don't do anything when called. However, in spite of this, I cannot see the .47 file anywhere on the disk.
How do I generate the file required for NBO analysis? Any help is appreciated.
Edit: The input file I am using is:
! RHF SP def2-SVP NPA * xyz 0 1 C -1.54056 0.93336 0.00000 H -0.47056 0.93336 0.00000 H -1.89722 -0.02889 -0.30294 H -1.89722 1.67683 -0.68186 H -1.89723 1.15213 0.98480 *
I am setting the environment variables with
set GENEXE=C:\Users\Public\Orca4.1\orca\gennbo.exe set NBOEXE=C:\Users\Public\Orca4.1\orca\nbo6.exe
Both nbo6.exe and gennbo.exe are dummy executables that don't do anything when executed. Note that the Orca version is 4.2.1 even though the directory name is 4.1.