Disclaimer

Last updated: April 3, 2026

No Affiliation

AutOChem is not affiliated with, endorsed by, or associated with the ORCA quantum chemistry program or its developers. ORCA is developed and maintained by Prof. Frank Neese and collaborators at the Max Planck Institute for Chemical Energy Conversion. Any references to ORCA within the AutOChem platform or website are made solely for the purpose of describing software interoperability.

Similarly, AutOChem is not affiliated with Gaussian, Inc. or any other third-party computational chemistry software package referenced on this website or within the AutOChem application. All third-party product names, logos, and brands are the property of their respective owners.

Trademarks

  • ORCA is a trademark of its respective owners.
  • Gaussian is a registered trademark of Gaussian, Inc.
  • All other trademarks and registered trademarks mentioned on this site are the property of their respective owners.

Third-Party Software Licensing

AutOChem does not distribute, bundle, or include any third-party quantum chemistry software. Users must obtain their own licenses for ORCA, Gaussian, or any other computational chemistry package independently and in compliance with each software's respective licensing terms.

It is the user's sole responsibility to ensure that they have valid licenses for any third-party software they configure for use with AutOChem.

ORCA Citations

If you use ORCA through AutOChem, please cite the ORCA program appropriately in any resulting publications. The primary references for ORCA are:

Frank Neese, "Software update: The ORCA program system — Version 5.0", WIREs Computational Molecular Science, 2022, 12(5), e1606. DOI: 10.1002/wcms.1606

Frank Neese, "The ORCA program system", WIREs Computational Molecular Science, 2012, 2(1), 73–78. DOI: 10.1002/wcms.81

Gaussian Citations

If you use Gaussian through AutOChem, please cite the Gaussian program appropriately in any resulting publications. The primary reference for Gaussian 16 is:

Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H.; Li, X.; Caricato, M.; Marenich, A. V.; Bloino, J.; Janesko, B. G.; Gomperts, R.; Mennucci, B.; Hratchian, H. P.; Ortiz, J. V.; Izmaylov, A. F.; Sonnenberg, J. L.; Williams-Young, D.; Ding, F.; Lipparini, F.; Egidi, F.; Goings, J.; Peng, B.; Petrone, A.; Henderson, T.; Ranasinghe, D.; Zakrzewski, V. G.; Gao, J.; Rega, N.; Zheng, G.; Liang, W.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Throssell, K.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M. J.; Heyd, J. J.; Brothers, E. N.; Kudin, K. N.; Staroverov, V. N.; Keith, T. A.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A. P.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Millam, J. M.; Klene, M.; Adamo, C.; Cammi, R.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Farkas, O.; Foresman, J. B.; Fox, D. J. Gaussian 16, Revision C.01; Gaussian, Inc.: Wallingford, CT, 2016.