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Active spaces for the core excited states. The frozen singly occupied core orbital is not counted in the definition of the active space, given as (active electrons/active orbitals).
| Core orbital | Active space | State average |
|---|---|---|
| C(1s) | (9/6) | 2 |
| N(1s) | (7/5) | 1 |
| O(1s) | (9/7) | 1 |
