Not an element error: Oganesson

1

Hello,

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
}
energy(‘CCSD(T)’)

Any help would be greatly appreciated. Thank you!

2

Yes, the last periodic table we could pull in structured data ended with 116 among named elements, so after that will register as NotAnElement. https://github.com/MolSSI/QCElemental/blob/master/nist_data/srd144_Atomic_Weights_and_Isotopic_Compositions_for_All_Elements.json#L17813-L17843

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