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scf problem

David G.
david.grifith@gmail.com



Hi

We have used 3-21g and LANL2DZ basis sets for our case and we have followed the manual instructions to get convergence even we tried to get convergence for the positively charged case but our struggle with it was unsuccessful. In the following you can see some parts of the input and the complete input and output files
were attached.

Best Wishes, D.  

This message contains the 1178 kb attachment
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