Welcome to the documentation for the Vibrational Analysis SEAMM plug-in

The Vibrational Analysis step computes anharmonic vibrational frequencies and the anharmonic zero-point energy by second-order vibrational perturbation theory (VPT2), with any method a Model Chemistry step chooses.

Getting Started

A simple introduction

To the Getting Started Guide

User Guide

A complete guide to using this step

To the User Guide

Developer Guide

Contributing to the code. Fixing bugs, adding functionality

To the Developer Guide

API Reference

The API for the Geometry Analysis Step

To the API Reference.

More Information

• Development Team
• History
• Main SEAMM documentation