extract hyperpolarizability (and polarizability and dipole moment) components from Gaussian 09 output.
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You must use POLAR and #P keywords in the root section of your Gaussian input (for mp2 or higher level of calculation you should use Polar=cubic or Polar=EnOnly or Polar=DubleNumber, SEE: http://www.gaussian.com/g_tech/g_ur/k_polar.htm) and also density=current.
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Run Gaussian: g09 < yourinput.com > youroutput.log
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Make executable hyper-grep.sh: chmod +x hyper-grep.sh
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and then run hyper-grep: ./hyper-grep.sh youroutput.log
or : ./hyper-grep.sh youroutput.log > polar.csv
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now you can open this *.csv file with LibreOffice or OpenOffice.
Note that if you want to open it via Microsoft Office, it is better to open *.csv with Liber/Open Office and then save it as *.xlsx
Auther: Ahmad Abdolmaleki (ahmadubuntu)
Email: [email protected]
Home of this code: https://github.com/ahmadubuntu/gaussian-hyperpolarizability-grep