Molpro Quantum Chemistry Software - Product Catalogue

Licences for Molpro are available for different combinations of "type" (who can use the licence, and where), "duration" (how long the licence lasts) and "use" (whether non-commercial or other types of use). The combinations that are generally offered are given in the table below, where the three characters making up the catalogue number specify type, duration and use according to the table that follows. Details of others, including commercial use, are available on request.

A discount of 30% is offered for the second and subsequent instance of the same type of licence purchased together, or within the last 6 months. The additional licences must be for the same organisation or university at the same geographical location, and running concurrently with the first licence. This discount applies only to M, N and G licences.

We are able to accept orders for multiple years of any of the one-year licences; when asking for a quotation, please enter the number of years in the 'Quantity' box, and add an explanatory note in the 'special requests' box.

Discounts are offered for version upgrades of existing unlimited-duration licences to a superseding licence of the same type and use. Where the start date of the existing licence is within the previous 12 months, 100% discount will be given, ie the upgrade to the new version comes without charge. For start dates within the last 2, 3, 4 years, the discount rate is 60%, 40%, 20%, respectively. We will also discount by the full value of any licence obtained within the last 6 months which would be superseded by the new licence. This could apply, for example, if a single-machine licence is replaced by a group licence, or a group licence by a site licence.

Catalogue number Description Licence fee /EUR Licence conditions
M0a Molpro for a single designated Mac or linux workstation with up to 4 cores, non-commercial use. More... 600
N0a Molpro for a single designated Mac or linux workstation with up to 16 cores, non-commercial use. More... 1000
G0a Molpro for a research group, non-commercial use. More... 3800
S0a Molpro for a site, non-commercial use. More... 11400
D0a Molpro service licence, non-commercial use. More... 15200
G1a Molpro for a research group, non-commercial use, one year with updates. More... 950
S1a Molpro for a site, non-commercial use, one year with updates. More... 2850
D1a Molpro service licence, non-commercial use, one year with updates. More... 3800
Mme Molpro for a single designated Mac or linux workstation, evaluation only. More... 0
S0t Molpro educational site licence. More... 1900

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

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.

Source code and developer access

Molpro is normally distributed in binary format for deployment on workstations and laptops, but those who hold service licences are also given access to source code. The principal purpose of providing source code is to support optimum building of the software on parallel and/or specialist architectures. However, 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.