UT theoretical chemistry code forum

[quote=graeme post_id=9388 time=1507502192 user_id=2] Well, we can deal with the error message separately, but first, if you look at your frequencies, the "1" at the end of the line means that the frequency is imaginary. There are far too many imaginary frequencies. Make sure that your dis...

Dear all, I have encountered one problem when I am calculating the prefactor using dymprefactor.pl command. It returns me the following error. Files do not have the same number of eigenvalues! I attached my freq.dat files below For transition state: 603.990920 cm^{-1} ... 1 207.268995 cm^{-1} ... 1 ...