ccsd: nopen is not zero 1


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Just Got Here
7:37:34 PM PDT - Fri, Aug 22nd 2014
Hi,

I'm getting an error while running NWChem for single-point energy calculation. Hope someone can help me.

Thanks.

Here is the part of the input file,

...
basis spherical
P library aug-cc-pVTZ
Au library "CRENBL ECP"
end
ecp
Au library "CRENBL ECP"
end

scf 
 uhf    

 doublet

 maxiter 2000
end

ccsd 
freeze core
end