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problems in computing frequencies using GAMESS

Guest vit
Guest vit
in Chemistry

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1st, I spent 3 months to learn how GAMESS works.

2nd, I started usage of GAMESS to compute vibrational frequencies of non-linear system having zero total charge, correct multiplicity, etc., but the results are not correct. Only the linear configuration of the system was computed with no message "THE GEOMETRY SEARCH IS NOT CONVERGED!" & gave me results in frequencies.

3d, How can I decide this problem? (Be sure, I know the meaning of "not converged" ;) )

4th, Whom can I show the input file to?

  • 8 months later...

I realize this is an older post, but I am quite familiar with GAMESS...use it all the time to compute structures and frequencies. Why don't you post your input file so we can have a look?

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