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Re^3: $IRC keyword definition

Leira Ruth A. F.

Dear Luca,

Your post has been helpful since I also had experienced the same problem now. But I'd like to know if you used the same $DATA and $HESS input in both forwrd=.t. and forwrd=.f. of your irc calculations. Is it not necessary to modify the geometry a bit along the direction of the imaginary normal mode?


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