I tried in Polar keywork (Opt freq b3lyp/6-32G(d) polar) but it shows only polarizability and hyperpolarizability i not there in the output file. In HF calculations, if i give the keyword 'polar' both will come but DFT calculations show only in polarizability. Why? . Anyone can give the suggestions.
Dear Panneerselvam Murugesan,
This problem occurs with polar keyword. One more thing you can do take values from the achieves at the end of output file obtained from Opt freq b3lyp/6-32G(d) keyword. This alone is enough for calculating polarizability and hyperpolarizability. At the end of file, search for polar and hyperpolar. You will find the values.
Mr. Murugesan,
Please follow the discussion 'How can I get hyperpolarizability in Gaussian 09 output?' (https://www.researchgate.net/post/How_can_I_get_hyperpolarizability_in_Gaussian_09_output) and related sub-discussions
Use Polar=(dcshg,cubic) with Freq=0.0 if you desire static part, and for dynamic part use any frequency you wish
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