Hello! Is it possible to return the principal axis system (A,B,C) dipole moments from a calculation? This would be really helpful for rotational spectroscopy calculations, especially since the A,B,C rotational constants are already returned. Thanks!
Hello! Is it possible to return the principal axis system (A,B,C) dipole moments from a calculation? This would be really helpful for rotational spectroscopy calculations, especially since the A,B,C rotational constants are already returned. Thanks!