To compute the cubic and quartic force constants and the first-, second- and third-order geometric derivative tensors of the electric dipole moment and of the electric dipole polarizability, the recursive implementation47 of the open-ended response theory framework of Thorvaldsen et al. 48 has been used. This formalism has been implemented in a development version of the Dalton2013 program package.64,65 The linear response solver of Jørgensen et al. 61 has been used for the solution of the response equations. Differentiated one- and two-electron integrals were computed using the Gen1Int56,57 and Cgto-Diff-Eri58,66 programs, respectively, except for some of the lower-order two-electron integral geometric derivatives which were computed using existing functionality in Dalton. The differentiated exchange–correlation (XC) energy and potential contributions up to fifth order needed in the DFT calculations were computed using the XCFun library,59,60 where the integrator XCInt has been used for the integration of the XC contributions. The calculation of the Coriolis coupling constants is not done in a response theory framework, but have been calculated in the manner outlined in ref. 67.