Download and install the current version of Q-Chem (5.2)

 

Registration

You must have an Order Number in order to receive a license. Register for a demo or commercial license here.


Linux and macOS installation instructions

Universal Online Installer (recommended)
  1. Download the installer
  2. wget -N https://downloads.q-chem.com/qcinstall.sh

    Or on Mac,
    curl https://downloads.q-chem.com/qcinstall.sh > qcinstall.sh

  3. Set permissions for the installation script as executable
  4. chmod +x ./qcinstall.sh

  5. Run the installer script
  6. ./qcinstall.sh

  7. Follow the installation prompts

  8. Save the license file, received via email, with the file path,
  9. [Q-Chem installation path]/qcaux/license/qchem.license.dat

  10. For usage and methodology details, explore the Q-Chem manual
Alternative Offline Installer
  1. Download the installer below to a new directory

  2. Offline Installers

  3. Untar the installer, four directories and two files should be created
  4. tar xvf qc52.tar

  5. Run the installer script
  6. ./qcinstall.sh

  7. Follow the installation prompts

  8. Save the license file, received via email, with the file path,
  9. [Q-Chem installation path]/qcaux/license/qchem.license.dat

  10. For usage and methodology details, explore the Q-Chem manual
  11. Windows installation instructions

    1. Download the Q-Chem installer for Windows

    2. The default installation directory is C:\QChem\5.2.0

    3. Under "Start Menu\QChem 5.2.0", click "Register Q-Chem" and follow registratoin prompts

    4. Save the license file, received via email, with the file path,
    5. C:\QChem\5.2.0\qcaux\license\qchem.license.dat

    6. After license is received and installed please verify the installation by running a sample calculation. Start "QChem Shell" in "Start Menu\QChem 5.2.0", and type the following command to verify.

    7. qchem dft_b3lyp_h2o.in

    8. For usage and methodology details, explore the Q-Chem manual
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