Multifunctional calculation engine of quantum chemistry

Gaussian is a famous and widely used program in the field of computational quantum chemistry worldwide, which provides state-of-the-art capabilities for electronic structure modeling. The program was developed by the J. A. Pople’s group to whom the Noble Prize in Chemistry was awarded for generalizing the ab initio molecular orbital method around the world in 1998.

Notable Features

  • 01

    Produces accurate, reliable, complete models without cutting corners

  • 02

    Adapted to ONIOM, heterogeneous, and open-shell reaction systems respectively

  • 03

    Advanced performance in single CPU, multiprocessor and multicore, cluster/network and GPU computing environments

  • 04

    With user-friendly functions for setting up calculations

  • 05

    Capable of presenting calculation results in natural and intuitive graphic form with GaussView

See more details on the website of Gaussian Inc.

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Non-functional specs

*1 Not included in this product. Please separately prepare in advance as needed.
*2 It is also available from us. Get more information by contacting us.

Functional specs

Major functions


Software license plans for academic or enterprise users are
respectively available now


For more information, please contact us.

Get technical information and manuals from 
the website of Gaussian Inc.

  • Gaussian Inc. updated their release notes about the latest version of Gaussian, 16 Rev. C.

    March 11th, 2022
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