Optical rotation dispersion (ORD)

RESPONSE
 OPTICALROTATION
END

OPTICALROTATION

With the subkey OPTICALROTATION the (frequency dependent) optical rotation [80,94] will be calculated. For correct calculations one should calculate the entire tensor (see also the subkey ALLCOMPONENTS), which is done automatically.

An alternative implementation uses the AORESPONSE key, in which life time effects can be included.