Atoms Are Too Close, Please Check your Geometry Input


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Forum Vet
The input file you have uploaded does not contain the noautosym keyword suggested by Sean
https://github.com/nwchemgit/nwchem/wiki/Geometry

By the way, the autosym process fails because the distances between atoms 5299 and 5300, 5303 and 5304, 5317 and 5318, 5319 and 5320, 5321 and 5322, 5327 and 5328, 6135 and 6136, etc ... are less than 0.5 angstroms. You might want to avoid this state of affairs