From NWChem
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| 2:51:11 AM PST - Wed, Dec 4th 2013 |
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Dear all,
I am trying to calculate the frequency calculations of an organic molecule in nwchem 6.1 with B-97D/6-311G**. I got frequency results for cation and anion of the molecule but it is not calculating the frequency for the neutral molecule. I got this message in the output :
analytic 2nds not ready for these XC functionals.
If that is the case then how it is calculating frequency for cation and anion?
Thanks
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