Payware for quantum chemical calculation based on the density functional theory. This application supports relativistic effects needed in treatment of transition-metal complexes and heavy elements, and can also treat effect of solvents with the method of COSMO and 3D-RISM. In addition to ordinal optical spectra, it can evaluate various spectra data such as NMR, atomic vibration, electron spin resonance, and nuclear quadrupole resonance (NQR).
The ADF Modeling Suite has a flexible, elaborate licensing structure. You can always request a Price Quote, or contact us or your local reseller if you have questions. A few example academic group prices are listed online in euros, RMB and US$. There is also a academic price calculator for license fees for your own configuration. https://www.scm.com/adf-modeling-suite/pricing-licensing/