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|98||27 Mar 2006, 05:03 PM CEST||alexib||Dear colleagues,
is it possible to calculate Raman intensities utilizing LB94 XC potential? As I learned from the manual LB94 is incompatible with Frequencies run while it is bad for energy. Can I calculate frequencies with for example BLYP and then to calculate the intensities with LB94 via some restart? Or the only way to do that is a polarizability differentiation by hand?
Thanks in advance!
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