Problems viewing molecular orbitals in ECCE 7.0 - Solved


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Despite including the basis set coefficients in the nwchem input file, ECCE is not able to calculate the MO's from the ecce output.

Since I get an error when I try to post the input file, I've put it up on pastebin.

Input file

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The problem apparently was the attribution comments that the basis set exchange puts into the basis sets. I removed them from the ECCE output file and am able to view them now.


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