Comment on "Theoretical study of the NO 3 radical reaction with CH 2 ClBr, CH 2 ICl, CH 2 BrI, CHCl 2 Br, and CHClBr 2 " by I. Alkorta, J. M. C. Plane, J. Elguero, J. Z. Dávalos, A. U. Acuña and A. Saiz-Lopez, Phys. Chem. Chem. Phys. 2022, 24 , 14365

This comment addresses a systematic error in the potential energy surfaces of the title reactions presented in the original article by Alkorta The NO radical has symmetry in the electronic ground state while the M08HX functional employed in the original article predicts an incorrect geometry and energy. By combining thermodynamic data for the OH + HNO → H O + NO reaction with spectroscopic data and results from M08HX calculations on HNO , H O and the OH radical, the ground state NO radical energy is estimated to be 37 kJ mol lower than reported for the geometry.