How can I optimize cellulose in solvent in Gaussin 09?

15 September 2021 0 6K Report

I want to optimize cellulose in a solvent phase and unfortunately it gives an error with the following rout section. I'm looking for another command line, please help

fopt=maxcycle=1000 b3lyp/6-31g polar scrf=(iefpcm,solvent=water) test volume

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