Notice

Conversion to Basis Set Exchange

Beginning May 16, 2008, this page will redirect you to the Basis Set Exchange (BSE). You can also reach the BSE at bse.pnl.gov.

Basis sets contributed to the BSE over the past year+ have been reviewed and made available for public download.

For a short time, this form will be available at http://www.emsl.pnl.gov/forms/basisform-orig.html. However, the database associated with this web form is no longer being maintained.

EMSL Gaussian Basis Set Order Form
Last Update: Thu Sep 28 16:39:37 PDT 2006    
Basis Set Exchange
Help | Support | Disclaimer | Sister Site
Basis Sets:
Elements:
Code :

Output Options :

Optimize General Contractions Show Supporting Basis Sets
ECPs Show Supported Elements
Email:

Citation: In addition to the original scientific reference, users of this form are requested to include the following citation in any publications resulting from its use:

Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/02/06, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact Karen Schuchardt for further information.

Information on computational chemistry programs:

MOLCAS
MOLPRO
GAMESS
GAMESS-UK
Gaussian
HyperCube Inc.
Dalton
deMon
Turbomole