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Performance of the hybrid density functionals in the determination of the geometric structure, vibrational frequency and singlet–triplet energy separation of CH2, CHF, CF2, CCl2 and CBr2

Chemical EngineeringMolecular SpectroscopyEngineeringVibrational FrequencyNatural SciencesEnergy SeparationComputational ChemistryQuantum ChemistryChemistrySpectra-structure CorrelationHybrid Density Functionals