HF SCF Oscillating and Failling

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Hello,

I am running a CCSD and the SCF is oscillating and then failing due to running out of cycles (100). The system is carbon, hydrogen, oxygen and nitrogen and I'm using aug-cc-pVDZ. Here's the partial input:

""""""""""""""""""""""""
scf
   thresh 1e-6
RHF
singlet
sym off
maxiter 100
end

ccsd
   thresh 1e-6
freeze atomic
nodisk
end

task ccsd optimize
"""""""""""""""""""""""

Anyone got some ideas on how to get convergence?

Thanks,
Stacey

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Figured it out....in the SCF block, I added "nr 0". That seems to get the job done.


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