Download and install the current version of Q-Chem (5.1)

Click here for Q-Chem 5.1 release log

View and download our standard form license agreement here.

 

Registration

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


Supported Platforms

List of supported platforms

Linux and macOS installation instructions

Online Installation of the Latest Version of Q-Chem (recommended)

Requires internet access and updates previous installations to the current version.

  1. Download the installer
  2. wget -N http://www.q-chem.com/download/qcinstall/qcinstall.sh

    Or on Mac,
    curl http://www.q-chem.com/download/qcinstall/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
Offline and Installation of Previous Versions of Q-Chem

No internet access required and previous versions of Q-Chem are available.

  1. Download the installer below

  2. Untar the installer, a new directory containing the installer should be created
  3. tar xvf qc51.tar

  4. Change to the installer directory and run the installer script
  5. cd [installer directory path]

    ./qcinstall.sh

  6. Follow the installation prompts

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

  9. 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\5.1.2

  3. Under "Start Menu\QChem 5.1.2", click "Register Q-Chem" and follow registration prompts

    Alternatively, if you have Q-Chem 5.1.0 or 5.1.1 already installed, the license file can be copied over

  4. Save the license file, received via email, with the file path,
  5. C:\QChem\5.1.2\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 5.1.2", and type the following command to verify.

  7. qchem dft_b3lyp_h2o.in

  8. (Optional) Download and install the IQmol graphical user interface, instructions here
  9. For usage and methodology details, explore the Q-Chem manual