What is the value of polarizability of L-Dopa ?

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Bojidarka B. Ivanova

Mr. Chatterjee,

You could compuite it by quantum chemical methods (www.gaussian.com).

Hirak Chatterjee

I have tried to do it quite a long. I have used around 50 different basis sets for each computation, but the results resemble quite scattered. I could not able to find any functional which can replicate the experimental result. I have scaled the value for water molecule ( experimental polarizability= 9.72) and only through the basis aug-cc-pvdz I have got the value for polarizability of water as 9.64, the closest among all values with an experiment. Now, I tried to solve L_Dopa molecule with the same functional, but the calculation did not converge.

Please help me.