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Update README.md
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ahmadubuntu authored Nov 9, 2016
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extract hyperpolarizability (and polarizability and dipole moment) components from Gaussian 09 output.


1) 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).
1) 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.

2) Run Gaussian: g09 < yourinput.com > youroutput.log

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