Table reports a comparison of experimental and calculated data for the angle 2θ, the birefringence δ αβ = n α -n β , and the optical rotation along the z axis, all of which are defined in Section II C. We report these values calculated along the ε r principal axes (denoted by the superscript ε) and with the coordinate system rotated to have the z axis along the optic axis (denoted by the oa superscript), see discussion in section II C. The full tensors and other intermediate quantities that were used to evaluate the data in the table are reported in Tables S7-S10 of the SI. The agreement between theoretical and experimental values in Table IV is very good, considering the basis set utilized in the calculations. The error is 14-16% for the angle 2θ and 19-29% for the birefringence δ ε , indicating that the electric dipole-electric dipole polarizability is reasonably accurate. The error for the OR TABLE IV. Experimental and calculated data for the angle 2θ ( ○ , see Eq. 37), the birefringence δ αβ = nα -n β , and the optical rotation along the z axis (deg/mm) at 680 nm. The superscript ε denotes values calculated along the εr principal axes, while the oa superscript denotes the coordinate system rotated to have the z axis along the optic axis.