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Initial dimer axis

The direction of unstable vibrational mode can be obtained by performing vibrational analysis (IBRION=5, see Sec. 6.22.6) and taking the x-, y-, and z- components of the imaginary vibrational mode (after division by SQRT(mass)!) parallel with the reaction coordinate. Note that in order to plot "Eigenvectors after division by SQRT(mass)", NWRITE=3 should be used.



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