Summary of NACs for ozone singlet, +1 doublet, and triplet. The range in each cell is the minimum and the maximum value across the different levels of theory for the underlined atoms.
Spin state | NACs | |
---|---|---|
O̲–O–O̲ | O–O̲–O | |
Singlet | −0.179–−0.195 | 0.357–0.389 |
+1 doublet | 0.231–0.338 | 0.431–0.515 |
Triplet | −0.118–−0.067 | 0.134–0.236 |