Product Information
Last update: 7 November 2007
Gaussian 03M
Gaussian 03M is a complete implementation of Gaussian 03 for the PowerPC-based Mac OS X environment. It is not supported on Intel-based Macintosh systems, not even under the Rosetta emulator. For these systems, a version of the UNIX Gaussian 03 is needed; click here for details.
Recommended Minimum System Requirements
Processor: Macintosh G4 or G5 Processor
Operating System: Mac OS X
Memory (RAM): 256 MB (512 MB recommended)
Disk: 200 MB (G03M storage); and 500 MB or more (scratch space)
Other: CD-ROM drive; Mouse
Pricing: Academic Commercial U.S. Government
This illustration shows GaussViewM at the top of the desktop. You can also see Gaussian 03M running in the Process Listing window.
Gaussian 03M can be used to model many properties:
- 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 chemical shifts and spin-spin coupling constants.
- Spectra of chiral molecules: optical rotations, VCD and ROA.
- G tensors and other contributions to hyperfine spectra.
Gaussian 03M can study compounds and reactions under a wide range of conditions:
- 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.