[molpro-user] CASPT2 frequencies

hudock at spawn.scs.uiuc.edu hudock at spawn.scs.uiuc.edu
Mon Jun 6 16:31:32 BST 2005

Dear All, 

Does anyone know if it is possible to calculate excited state CASPT2 
frequencies in molpro 2002.9?  Since it is possible to minimize on excited 
states with RS2, it should be possible to calculate frequencies from the 
force matrix.  However, when I request frequencies with sym=no or with 
sym=c1 or with no symmetry request (should all do the same thing), I get an 
error that frequencies are only possible with no symmetry, which is what I 
am requesting.  Does anyone know why this is happening and if there is any 
way around it? 

Thanks so much,

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