You are working on the TheoChem-VU/TCutility repository. The source code is checked out at /testbed at…

You are working on the TheoChem-VU/TCutility repository. The source code is checked out at /testbed at…: a task in SWE-Lego-RL-2699 (Harbor dataset). We will need to add res.properties.s2 , res.properties.s2 expected and res.properties.spin contamination

The task

We will need to add `res.properties.s2`, `res.properties.s2_expected` and `res.properties.spin_contamination`

Part of Lego-X/Lego-RL-2699.