39 0 2. 39 0 1. 98.4 cm -1. 0 0 0. 99.6 cm -1. Conclusion. Corrected mode description of inversion ~250 cm -1 vs ~100 cm -1 DFT based methods lead to erroneous results Significant change in geometry from the singlet states EOM-CCSD based methods best for the excited states of 2CHO.
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