Energies using a wide variety of methods, including Hartree-Fock, Density Functional Theory, MP2, Coupled Cluster, and high accuracy methods like G3, CBS-QB3 and W1U

Geometries of equilibrium structures and transition states (optimized in redundant internal coordinates for speed), including QST2 transition structure searching

Vibrational spectra, including IR, non-resonant and pre-resonance Raman intensities, anharmonic vibrational analysis and vibration-rotation coupling

Magnetic properties, including NMR chem-ical shifts and spin-spin coupling constants

Spectra of chiral molecules: optical rotations, VCD and ROA

G tensors and other contributions to hyperfine spectra

In the gas phase and in solution

In the solid state, using the Periodic Boundary Conditions facility

Excited states can be studied with several methods: CASSCF and RASSCF, Time Dependent DFT and SAC-CI

The Atom Centered Density Matrix Propagation (ADMP) method can be used to perform molecular dynamics simulations in order to study reaction paths and product state distributions