Hi, I am currently using the Avogadro version 1.2.0 with ORCA support. I am having trouble viewing the orbitals from an ORCA output file.
The input files looks like the following:
! NOITER UKS NormalPrint def2-TZVPP def2-TZVPP/J MOREAD
%pal nprocs 6 end
- xyzfile 1 2 SPE.xyz
I know that the keywords “NormalPrint” and the %output block containing “Print[P_MOs] 1” and “Print[P_Basis] 2” were necessary for some other users to get Avogadro to show the MOs for their molecule, but I don’t know which version they are using.
Please let me know what I need to add to my input file in order to utilize this feature of Avogadro for calculations from ORCA. The molecule that I’m trying to visualize the MOs for is quite large (~ 800 Da). Does the size of the molecule matter?