In future, please follow the guidelines for submitting a bug report. In particular, the Psi4 version number, the exact input file, and a complete error message. When I try to reproduce the error, I get the exact line number for the problem. Including that information makes it easier for us to help you.
In this case, I can tell you the problem even without that information. wfn.gradient
is the name of the method that returns the gradient. The gradient itself is wfn.gradient()
. You need to include the parentheses in the frequency call.
That said, why are you calling frequencies twice, and why are you setting return_wfn=True
in the frequencies call? The two frequency
calls should give a nearly identical result, and you aren’t saving the wavefunction you get from the first frequency call.