"0:geom input:center is neither atom nor bq:Received an Error in Communication" error message

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Forum Regular

5:06:15 PM PST - Sat, Feb 14th 2015
After the fourth atom labeled "Cl4" there is a line with just an ampersand "&". NWChem, rightly so, has no clue what you mean with that. My suggestion would be to remove that line and I think the job should run then.