Alex Nest
comconadin@gmail.com
>I'm afraid Sanya was a bit sketchy. In brief, you need:
>1. Extract basis set and ECP information from input, output and punch files.
>2. Create new input with ECP=read, specify basis set manually or externally, remove ECPs from dummy atoms and specify zero nuclear charge for them.
thank you, Alex and Sanya. As I realize, ECP on dummy atoms doesn't have a sense and can be simply removed because electrons of non-dummy atoms "superpose" with only basis functions of dummy atoms.