Molpro Quantum Chemistry Software - Product Catalogue

Licences for Molpro are available for different combinations of "type" (who can use the licence, and where) and "duration" (how long the licence lasts). All licences are normally offered for a fixed term of one, two, three or four years (longer term licences on request). These licences include patches and updates to the latest version of the software throughout their duration.

Holders of a group licence may use Molpro for teaching by their group members. In the case of site licences, teaching is permitted for all members of the institution at the site for which the licence is valid.

Node-lock licences are issued for one specific computer, with a maximum number of cores. For example, a licence of type node8 will work on a computer with up to 8 cores, but not on a computer with 12 cores.

Optionally, licences for the graphical user interface gmolpro are available. gmolpro needs a valid licence for Molpro also.

Licence fees, in Euro, for academic institutions
(Discounts in percent, relative to the first year fee, in parenthesis)
Type Description Licence
First year Annual Renewal Up-front extension
per year
group    Molpro for a research group, non-commercial. More...
1450 1225 1000
site    Molpro for a site, non-commercial. More...
4350 3650 2950
service    Molpro service licence, non-commercial. More...
5800 4875 3950
node8    Molpro for a single designated Mac or linux workstation with up to 8 cores, non-commercial. More...
300 250 200
node32    Molpro for a single designated Mac or linux workstation with up to 32 cores, non-commercial. More...
600 500 400
group    Graphical User Interface gmolpro for a research group, non-commercial. More...
1250 1050 850
site    Graphical User Interface gmolpro for a site, non-commercial. More...
3850 3225 2600
node8    Graphical User Interface gmolpro for a single designated Mac or linux workstation with up to 8 cores, non-commercial. More...
450 375 300
node32    Graphical User Interface gmolpro for a single designated Mac or linux workstation with up to 32 cores, non-commercial. More...
450 375 300

Please note that the given licence fees do not include Value Added Tax, which will be charged where appropriate.

Licence fees for commercial use are provided on request.

Payments should be made in EURO by bank transfer and all bank charges have to be covered by the licensee.
Payments in US-Dollar attract a 5% surcharge.


Discount for up-front extension: when a licence is initially bought for more than one year. For example, if a group licence for 4 years is bought, then the up-front extension discount is applied for 3 years. The price would be: (first year licence fee) + 3*(up-front extension fee)

Discount for annual renewal: when an expired licence is renewed without break in continuity. E.g. if a licence expires on February 15, 2023, and it is supposed to be extended by 1 year, then continuity means that the renewal will run from February 16, 2023 until February 15, 2024.

Besides the discounts for extending an existing licence, the following discounts apply:

Concurrently running group licences: 30% for second and subsequent instances of a group licence, provided the first licence is valid for the current Molpro version. The additional licences must be for the same organisation or university at the same geographical location, and running concurrently with the first licence. If the licences do not have the same start and end date, then the discount is applied for those periods when the licences run concurrently.

Licence upgrade:

We will also discount by the remaining term value of any licence which is superseded by a more expensive new licence. This could apply, for example, if a single-machine licence is replaced by a group licence.

If a site licence is purchased, the remaining term value of any other licences purchased within the same institution at the same geographical location will be discounted.

Licence upgrades and renewals can be ordered at any time, including in advance of any renewal date.

Obtaining a licence

The procedure for making an order can be found here.

We offer 1-month trial licences (linux or Mac); to submit a request go here.

We operate a scheme to make Molpro available to researchers in selected developing countries; see here for further information.

Export restrictions

Molpro as distributed contains libraries provided by Intel under licence, and we are therefore unable to distribute Molpro to certain countries (Russia, Cuba, Iran, North Korea, Sudan, Syria, and parts of Ukraine) because of U.S. Export Administration Regulations and other U.S. law.

Source code for self-building

Molpro is normally distributed in binary format for deployment on workstations and laptops, and this should be adequate and give close to optimum performance. For optimum building of the software on parallel and/or specialist architectures, you can apply for access to source code, in order to optimise the use of compilers and libraries. Those who hold service licences are automatically given access to source code; holders of group and site licence may be given it on request.

Developer access

We welcome enquiries from those who would like to extend Molpro, and will normally be able to offer access to the version-controlled code repository to those licensees who need it. Various general interfaces are available for adapting to other codes.