How to incorporate DFT-D3 (BJ) corrections in Gaussian 09?

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Enrique Manuel Arpa

Dear Shardul Vadalkar ,

When using a DFT method, use the keyword empiricaldispersion=gd3bj. You can check https://gaussian.com/dft/ for functional availability and other options.

Hope you find it helpful

Rohan Sharma

Also you can add D3BJ using IOP(3/124=40) if empiricadispersion is not working since some version of Gaussian09 doesn't support it.