11 November 2019 2 847 Report

Can anyone suggest a free and easy to use computational software ideal for carrying out calculations on organic molecules? Most organic chemistry literature reports I've seen use Gaussian or Spartan software which are not free to perform B3LYP and wB97xd calculations. Wondering if such calculations could be accurately reproduced on the free softwares.

Saw quite a number of free computational softwares on Wikipedia but not quite sure which one to install as I'm a novice in this area. I'll appreciate your help.

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