Setup IQmol for Q-Chem Windows Version

(last edited on 05/04/2018, email for questions)

  • Download and install the Windows version of Q-Chem

  • Download and install the latest version of IQmol

  • Set up an IQmol server for a local installation of Q-Chem
    1. Start IQmol and selct "Edit Server" from the "Calculation" menu

    2. Select "Add new server"

    3. In the "Edit Server" window, select "Load" and import your IQmol local server configuration (If you are using Q-Chem prior to 5.0, select 'Local' in Connection section)

    4. (Optional) Change "Server Name" and configure your Q-Chem installation path if Q-Chem was not installed in the default location

    5. (Optional) Change C:\QChem\5.1.0 to the actual Q-Chem installation path

    6. Click "OK" to close the "Edit Server" windows. Draw any molecule and select "Q-Chem Setup" from the "Calculation" menu

    7. In the "Q-Chem Input File Editor" window, select "LocalQChem" (if you didn't change the Server Name in previous step) from the "Server" drop-down menu and click "Submit"

    8. Create a job folder and click "Select Folder"

    9. Select "Job Monitor" from "Calculation" menu

    10. In "Job Monitor" window, you can monitor the job status. If the job completes without an error, you will see "Star" icon on your job viewer in the "Model View" section