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GAUSSIAN 09W TUTORIAL - McGill University

GAUSSIAN09W TUTORIALAN INTRODUCTION TOCOMPUTATIONALCHEMISTRY USINGG09 WANDAVOGADRO SOFTWAREAnna is a quick TUTORIAL that will help you to make your way through thefirst steps of computational chemistry using GAUSSIAN 09W software (G09).The TUTORIAL is oriented to beginners and describes in detail the most usedcalculations done using G09. However, the theoretical basis of these cal-culations will not be covered here. If you are interested in understadingthe details, please refer to textbooks targeting this subject. I found [1] and[2] very helpful, and strongly recommend to take a look at these TUTORIAL - ATpage 1 of 34 CONTENTS1 Program Input .. Output .. Visualization .. Computation model ..52 First look at a EXAMPLE 1: Single Point Energy of Water ..53 GAUSSIAN Input Link 0 .. Route Section .. Molecular Structure ..84 Theoretical What is a theoretical model?

GAUSSIAN 09W TUTORIAL AN INTRODUCTION TO COMPUTATIONAL CHEMISTRY USING G09W AND AVOGADRO SOFTWARE Anna Tomberg anna.tomberg@mail.mcgill.com This is a quick tutorial that will help you to make your way through the first steps of computational chemistry using Gaussian 09W software (G09).

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GAUSSIAN 09W TUTORIAL - McGill University

barrett-group.mcgill.ca

Gaussian 09W (G09) is a computational chemistry program that runs on any mod-ern Windows 32-bit PC. If you want to install G09 on a 64bit PC, there is a special procedure you must follow: 1.Insert the CD with G09 and copy its content onto you computer. Any folder will do; I copied directly into the :Cndirectory. 2.Open directory containing G09

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