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Vibrational Frequencies of Main Group Compounds

All DFT methods perform better than HF and MP2 the hybrid techniques are even better than the costly QCISD. Both GGA functionals show scaling factors close to unity which means that they can be used without scaling, but they do not perform quite as well as [Pg.134]

Method fa RMSb 10 %c Problematic Cases (Deviations larger than 100 cm ) [Pg.134]

See other pages where Vibrational Frequencies of Main Group Compounds is mentioned: [Pg.147] [Pg.131]

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Frequency of group

Frequency of vibration

Group frequencies

Group vibrations

Main group

Vibration /vibrations group

Vibration frequency

Vibrational frequencies

Vibrational main group compounds