Theoretical characterisation of the lowest n→π^* electronic state of CF₂O. Is it planar or non-planar?

Structures, vibrational frequencies and energies for the lowest singlet electronic excited state of carbonyl fluoride CF₂O have been computed by ab initio methods (PMP4 (SDTQ) and QCISD (T) with a 6-311 + G (2d) basis and full-valence CASSCF with a 6-31 G^* basis), showing this ¹(n,π^*) state to be non-planar and to lie 111 kcal mol^-1 above the ground state, in good agreement with experiment. Nearby triplet states have also been studied.