ffmulks

I fixed it for my specific use case by adding the *0.95 down there in the return line (in hessians.py) That is obviously not a useful solution because it required...

Hey, this is the broadest one that I am aware of. They use the weird Gaussian notation but I suppose they cover your standard PBE0 method. https://cccbdb.nist.gov/vibscalejust.asp I am unsure...

Tested and works well! Looking forward to the 1.3.0 release. Want this closed or after the release?

Well, I am not planning to touch a single quantum chemical input file anymore manually now that I have set up my group to work with autodE, so I will...