Hello friends of the forum, I need help on how to combine calculation sapt2 in B3LYP basis 6-311++G(d,p)/ aug-cc-pVDZ if it is possible.
I’m not following. SAPT2 is a wavefunction SAPT method on a HF reference.
If you want to run energy('SAPT2/6-311++G(d,p)')
, followed by energy('B3LYP/aug-cc-pVDZ'), can put a
clean()` statement between the commands.