Many, MANY imaginary modes


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Hi,

There seems to be an oversight in the code. NWChem-6.3 does not have analytical COSMO frequencies. The code should have detected that and switched to numerical frequencies but it does not do that. I have fixed this in the development version now but for the NWChem-6.3 release please use

     task dft freq numerical

That should fix this issue.

Best wishes, Huub