For example I have 7 imaginary frequencies and one of them is the one I am looking for. I'd like to make gaussian look for the transition state represented by the one imaginary frequency. I used to do it but I cannot recall it. I am using G09
Wojciech Kołodziejczyk
I think you didn't understand me. I have for example three imaginary frequencies during TS optimization. One of the frequency is the one I am looking for. Now I want to force program to look for TS using this one good frequency. In gaussian98 there was a keyword for that but they removed it and moved to IOp. I cannot find it that's why I ask for it.
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Bojidarka B. Ivanova
Mr. Kołodziejczyk,
Try iop(7/33=1), which gives dipole dierivative with freq keyword, adding Int=Grid, too.
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