Adding Dunning Basis Sets

Well, I thought this would be a quick thing, but I've gotten twisted around enough such that I'm going to slow down and make sure I'm not messing things up.

(Sorry, Shane...)

To-Do List!

• Update yucca/basis python scripts to execute without errors
  • Sanity check: Able to reproduce def2-SVP and def2-TZVP basis sets with "fixed" scripts (and basis set exchange input)?
• Add aug-cc-pVXZ and cc-pVXZ basis sets from basis set exchange?
  • Sanity Check: def2-TZVP and cc-pVTZ and aug-cc-pVTZ all give similar water energies?
• Add density fitting basis sets for aug-cc-pXXX and cc-pXXX
  • Figure out whether to use RIFIT or JKFIT from basis set exchange???
  • Sanity Check: def2-TZVP/RIJK and cc-pVTZ/RIJK and aug-cc-pVTZ/RIJK all give similar water energies?