Geometry optimizations that won't converge


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Quote:Edoapra Aug 22nd 9:39 am
I have found no problem running your input file.
What version of NWChem have you been using?
Could you post your output file to a website?
There might be issue with the NWChem installation you are using


I tried running this on another computer and had no trouble, so it seems that you are right that it is an installation issue. Thank you very much for your help.