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

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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