Added two frequency scaling factors to Arkane #1653
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Calculated using Truhlar's method
cgrambow
approved these changes
Jul 16, 2019
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Travis is still failing. Not sure why. |
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Sorry, I was updating dependencies yesterday. The most recent cairocffi build apparently doesn't work on linux. I removed it so it should work now. |
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Added frequency scaling factors for the
wb97xd/def2tzvpandapfd/def2tzvpplevels of theory, calculated using Truhlar's method.Should be straight forward to review.