# Cartesian representation of q6(1) normal coordinate for CHD3 ( eigenv. 7 for VASP ) + harmonic. freq. # CD deformation ( E symmetry ) # 0.125668727 eV 0.376545 -0.001747 -0.001372 -0.167483 0.000777 -0.000327 0.180093 0.003297 0.107107 -0.492761 0.386709 -0.051363 -0.489177 -0.386298 -0.052200