Can avogardo program file open in gaussian software ?

27 September 2023 1 8K Report

the molecule designed in avogadro program. that file can be directly open in gaussian software ?

Hi there! The molecule can be directly opened with GaussView (the visualizator that comes with Gaussian).

To run a calculation you have to first set up your .input file manually with a text editor o directly from the Gaussian09 / Gaussian16 Software.

Avogadro has an option to ready .input files for several calculation softwares, I think Gaussian is included in that list 🤗

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