With a strong user base of more than 15.000 registered users in academia worldwide, ORCA is the fastest growing quantum-chemical software package to date. ORCA provides cutting-edge methods in the fields of density functional theory as well as correlated wave-function based methods.
One For All
ORCA is a multi-purpose quantum-chemical software package. It features a wide variety of methods ranging from semi-empirical methods to density functional theory to correlated single- and multi-reference wave-function based methods. Environmental as well as relativistic effects can be taken into account. ORCA is the leading software tool in the calculation of spectroscopic properties of open-shell molecules.
Smooth & Effective
We provide efficient and optimized workflows that fit ORCA into your work routines. For each process there is a minimal effort for it to complete successfully. We are dedicated to identify and realize this minimal effort. Because we know that time and energy are precious resources that should not be wasted.