If you just want to plot the orbitals you can do that with Avogadro or IBOView. But for other things you may need Chemcraft. It is unfortunately not free.
@@jouteur13 I'm not sure. You have to request that orca prints the NBOs, but I haven't checked what happens in Chemcraft if you have two sets of orbitals, if it will let you choose or it will pick one by default.
hey thank you for the video. I suppose you need the paid version of chemcraf? cheers
If you just want to plot the orbitals you can do that with Avogadro or IBOView. But for other things you may need Chemcraft. It is unfortunately not free.
@@niconeuman thank you, trying out so far not. I guess I dont need any particular output for natural orbital? just a frequencies calculation right?
@@jouteur13 I'm not sure. You have to request that orca prints the NBOs, but I haven't checked what happens in Chemcraft if you have two sets of orbitals, if it will let you choose or it will pick one by default.
@@niconeuman right I need the largeprint request .thank you