Not an element error: Oganesson


I’m trying to perform a single point energy calculation on a pair of oganesson atoms. I’m using the atomic symbol “Og”, and getting the following error:

qcelemental.exceptions.NotAnElementError: Og

Here is my input.dat, for reference:

set basis jun-cc-pVDZ

molecule {
0 1
Og -8.71191 1.11478 0.00000
Og -5.50593 0.67505 0.00000

Any help would be greatly appreciated. Thank you!

Yes, the last periodic table we could pull in structured data ended with 116 among named elements, so after that will register as NotAnElement.

Far before then on the periodic table basis sets will run out. Do you have a basis set for Og to feed in?