Hello everyone,
I am doing a single point calculation on my system using ONIOM (QM/MM). The checkpoint file (and also formatted chk), which is generated from this calculation does not show any of the DFT basis functions in the output and hence, I'm not able to visualize the orbitals associated with the DFT layer. My question is:
Is there any way (command, etc) to obtain/visualize these orbitals in the ONIOM calculations?
Thanks a lot, in advance, for your help.
PS: Note that I am asking for the DFT orbitals.