I’d like to enforce the projection of all translations and rotations when I get this message:
Based on options and gradient (rms=1.22E-02), recommend projecting translations and not projecting rotations. hessian() will perform frequency computation by finite difference of analytic gradients. ... Translations projected? 1. Rotations projected? 0.
TRV in the guts of
psi4.driver.qcdb.vib, but don’t know more than that.