PLEASE READ THIS AGREEMENT CAREFULLY, BEFORE CONTINUING WITH THE DOWNLOAD OR
INSTALLATION. BY CLICKING ON THE “I ACCEPT” BUTTON, YOU (LICENSEE) ACCEPT THE CONDITIONS
OF THIS AGREEMENT. IF YOU DO NOT ACCEPT OR AGREE TO THE CONDITIONS OF THIS AGREEMENT,
YOU MUST NOT CONTINUE WITH THE DOWNLOAD OR INSTALLATION.
This agreement (hereinafter referred to as “Agreement”) regulates the contractual relationship
between you as the user (hereinafter referred to as LICENSEE) and the Max-Planck-Institute für
Kohlenforschung (hereinafter referred to as “MPI”), acting through its Studiengesellschaft Kohle
mbH(hereinafter referred to as “SGK”) concerning the use of the ORCA software and its
documentation. These conditions of use apply to all updates and upgrades.
In accordance with their respective license conditions, several third party software libraries or
products, which are not subject to this license agreement, are delivered and installed with
SOFTWARE. All relevant license agreements are delivered with SOFTWARE and are accepted upon
a. “ACADEMIA” refers to all schools, colleges, universities and the Institutes of the Max-Planck-
Gesellschaft zur Förderung der Wissenschaften e.V. Expressly excluded from this term are
institutions with a connection to the military.
b. “ACADEMIC PURPOSE” refers to research and teaching in ACADEMIA. Expressly excluded
from this term are research and development for commercial purposes, research and
development in cooperation or other collaboration with or sponsored by a for-profit
organization, and research and development for a for-profit organization.
c. “SOFTWARE” refers to the Software ORCA, version 4.0 or later, including its documentation.
d. “PRIVATE USE” refers to the usage of SOFTWARE by a single, private person for private, non-
commercial, not work-related research only. Expressly excluded from PRIVATE USE is use for
a for-profit, a non-profit, governmental or any other type of organization. Expressly excluded
from PRIVATE USE is a use that results or contributes to any commercial activity. Expressly
excluded from PRIVATE USE are persons whose work could potentially benefit from or could
potentially be influenced in any way through the usage of SOFTWARE.
2. CONDITIONS OF USESOFTWARE may be used exclusively in ACADEMIA for ACADEMIC PURPOSES and for PRIVATE USE.
SOFTWARE is an academic program code in development. LICENSEE is aware that it is possible that
SOFTWARE will not have standard properties, or may not be suitable for use or fit for a particular
If SOFTWARE is being used by a research group, LICENSEE guarantees such research group members’
compliance with the rights and obligations arising from this Agreement and shall be available to the
MPI and SGK as a point of contact.
3. USAGE AND LIMITATIONS
LICENSEE is entitled to use the SOFTWARE within the scope of the Agreement. The license granted to
LICENSEE under this Agreement is a simple, non-exclusive, non-transferable and non-sublicensable
right to use SOFTWARE in ACADEMIA for ACADEMIC PURPOSES and for PRIVATE USE, limited in time
to the term of this Agreement.
Use in accordance with the Agreement includes installation of the SOFTWARE and loading, display
and running of the installed SOFTWARE. LICENSEE may duplicate SOFTWARE insofar as such
duplication is required to use SOFTWARE.
LICENSEE is not entitled:
a. to transfer SOFTWARE or make it available to third parties in any form apart from the
exceptions expressly specified in this Agreement. In particular, LICENSEE is not permitted to
sell, loan, lease or rent the SOFTWARE or sub-license it in any other way, or to reproduce
SOFTWARE or make it accessible publicly;
b. to use SOFTWARE in the context of cooperation agreements, project work or other
collaboration with for-profit organizations, or with governmental and/or non-profit
organizations that do not qualify as ACADEMIA. This includes contract calculations for third
parties. If all partners have a valid license for SOFTWARE or for the contract calculations, the
limitations of 3 b) do not apply;
c. to share data generated with SOFTWARE with third parties for other purposes than
ACADEMIC PURPOSES. Publication of data in a scientific journal is expressly permitted.
d. to modify, translate, reverse engineer, decompile or disassemble SOFTWARE or parts of it, to
create works derived from SOFTWARE or parts of it, or to duplicate, translate or modify it or
derive works from it outside the scope of this Agreement;e. to transfer SOFTWARE from one computer via a network or other data transfer channel to
another computer or another receiving device if said transfer is not within the scope of this
f. to remove copyright marks.
Any and all ownership rights of MPI and/or SGK in and to SOFTWARE shall remain unaffected, even if
LICENSEE changes SOFTWARE or combines it with LICENSEE’s own programs or those of a third party.
5. OBLIGATIONS OF LICENSEE
LICENSEE shall immediately notify SGK if LICENSEE or ACADEMIA LICENSEE is working for, is filing a
patent as a result of LICENSEE’s use of SOFTWARE.
MPI and SGK are entitled to use the information in the patent application for marketing purposes
and to publish it for this specific purpose.
If results obtained with SOFTWARE are published in the scientific literature, LICENSEE shall reference
the SOFTWARE as:
“F. Neese: Software update: the ORCA program system, version 4.0 (WIREs Comput Mol Sci 2018,
8:e1327. doi: 10.1002/wcms.1327)”. Using specific methods included in SOFTWARE may require
citing additional articles, as described in the manual. LICENSEE agrees to honor the request to cite
additional papers as appropriate.
The license shall be made available to LICENSEE free of charge.
Neither MPI nor SGK shall be obliged to provide any maintenance or support for SOFTWARE.
7. DISCLAIMER OF WARRANTY
There is no warranty for SOFTWARE, to the extent permitted by applicable law. Except when
otherwise stated in writing, the copyright holders and/or other parties provide SOFTWARE “as is”
without warranty of any kind, either expressed or implied, including, but not limited to, the implied
warranties of merchantability and fitness for a particular purpose. The entire risk as to the quality
and performance of SOFTWARE is with LICENSEE. Should SOFTWARE prove defective, LICENSEE
assumes the cost of all necessary servicing, repair or correction.8. LIMITATION OF LIABILITY
In no event unless required by applicable law or agreed to in writing will any copyright holder, or any
other party who modifies and/or conveys SOFTWARE as permitted above, be liable to LICENSEE for
damages, including any general, special, incidental or consequential damages arising out of the use
or inability to use SOFTWARE (including but not limited to loss of data or data being rendered
inaccurate or losses sustained by LICENSEE or third parties or a failure of SOFTWARE to operate with
any other programs), even if such holder or other party has been advised of the possibility of such
9. INTERPRETATION OF SECTIONS 7 & 8
If the disclaimer of warranty and limitation of liability provided above cannot be given local legal
effect according to their terms, reviewing courts shall apply local law that most closely approximates
an absolute waiver of all civil liability in connection with the SOFTWARE, unless a warranty or
assumption of liability accompanies a copy of the SOFTWARE in return for a fee.
The Agreement is concluded for an unlimited period.
The right to extraordinary termination for cause remains unaffected.
In the event of termination, LICENSEE shall surrender use of SOFTWARE, remove all copies of
SOFTWARE installed on his or her computers and either immediately return any backup copies
created to SGK or, at its discretion, destroy such copies.
11. OTHER PROVISIONS
The law of the Federal Republic of Germany applies to this Agreement. Application of the UN
Convention on the International Sale of Goods (CISG) is excluded.
The place of jurisdiction for all disputes is, to the extent permitted by law, Düsseldorf.
MPI and SGK reserve the right to change these conditions of use without specifying reasons, unless
the change is unreasonable for LICENSEE to accept. LICENSEE shall be notified of any changes to the
conditions of use without delay. If LICENSEE does not object to the application of the modified
conditions of use within a period of 2 weeks, the modified conditions of use are deemed to have
been accepted by LICENSEE.
Version: January 2018