Gaussian 09

  

Gaussian 09. an electronic structure package capable of predicting many properties of atoms, molecules, reactive systems, e.g.; –molecular energies –structures –vibrational frequencies –electron densities –utilizing ab initio, density functional theory, semi. Gaussian 09 Keywords. Keyword Topics and Categories. ADMP AM1 Amber B3LYP BD BOMD CacheSize CASSCF CBSExtrapolate CCD, CCSD Charge ChkBasis CID, CISD CIS, CIS(D) CNDO Complex Constants Counterpoise CPHF Density DensityFit DFTB Dreiding EOMCCSD EPT ExtendedHuckel External ExtraBasis ExtraDensityBasis Field FMM Force Freq Gen. Normal termination of Gaussian 09 at Tue Nov 1 15.-Cite. RMIT University. Run with CAM-B3LYP and other options. Though log file final. Program is divided into a series of modules known as. Different links perform different parts of the calculation, and the various links execute sequentially, making up the total job.) Gaussian 09W. First, notify Paul Weakliem or Fuzzy Rogers that you wish to use Gaussian so your account can be enabled. UCSB has a site license for Gaussian; please.

Gaussian 09 Manual

Gaussian is a computational chemistry program available to students, staff and faculty. See accessing the software share for more information.

Installation Instructions

1. In the Gaussian folder on cheme-software, select the most recent edition of Gaussian (currently Gaussian 09 Rev D.01) and open that folder. Then open the folder Gaussian 09 folders and, in there, select the appropriate version for your operating system. In order to do this, you must know if you are running Linux, Mac OS X, or Windows, and you must know if your windows installation is 64 or 32 bit. If you are unsure, go to Start. Select Control Panel, and then System. Look under system type. Most CMU computers run 64 bit windows, and the appropriate version of Gaussian for this is G09W_64-bit_binary.

2. In the appropriate folder for your operating system, open the application called setup. If you recieve a security warning, click run.

3. click Next to begin installation.

4. You should now be prompted for your name, company, and serial number. Enter your name, Carnegie Mellon University, and the serial number from the file serial number.txt in the same folder you found setup in. Click next, and you should see a pop-up that says serial number validated. Click ok.

5. Select components of Gaussian to install (all are reccommended), then click Next.

Gaussian 09 Manual Pdf

Gaussian

6. Select a folder in which to install Gaussian (the default folder is reccommended), then click Next.

Gaussian 09 Citation Endnote

7. Click Install.

8. A pop-up should eventually appear. Click ok.

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9. Click Finish.