| 12:31:10 PM PDT - Mon, Jun 3rd 2013 |
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I read through this thread as I was having a similar problem. Bert points out:
Quote:username We have implemented COSMO analytical gradients, but not the Hessians so far.
I took a look at my output file and realized that the error is only in the frequency portion of the calculation, so I changed:
task dft freq
to:
task dft freq numerical
It solved my problem (B3LYP radical opt/freq in COSMO).
regards,
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