[molpro-user] how to get Cartesian Force Constants?

Haitao Ma mht at mrdlab.icas.ac.cn
Tue May 31 13:44:06 BST 2005


Dear Molpro user,
                                                                                                      
    With numerical and numhes card, I can get the 3N gradients and 3N
second derivatives of a specific molecular with N atoms. But I want to get 
the 3N*(3N+1)/2 Cartesian Force Constants, what supposed to write in the 
input file? 
    Thank you!
    Yours sincerely
    MHT




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