WebMO is a web-based interface to computational chemistry packages. Click on the following link to access our WebMO server: WebMO Login

(Please note, this is a virtualized server. To save resources, the WebMO server may not be kept running at all times.)

If you are a current student or faculty member and have a need to use WebMO, please contact Tom Marcais at tmarcais@wlu.edu to have your account created.

The following calculation types are supported by the current engines we have installed on our WebMO server:

Calculation Types Gamess Mopac NWChem Orca PQS PSI Quantum Espresso Tinker
Molecular Energy X X X X X X X X
Geometry Optimization X X X X X X X
Vibrational Frequencies X X X X X X X X
Thermochemistry X
Optimize + Vib Freq X X X X X X
Excited States X
UV-Vis Spectrum X X
Optimize + NMR X
Coordinate Scan X X X X X
Molecular Orbitals X X X X X X X
Natural Bond Orbitals X
Transition State Optimization X X X X X X X
Saddle Calculations X X
IRC Calculation X
Density of States X
Relaxation X
Variable-Cell Relaxation X
Other X X X X X X X

Instructions for working with WebMO can be found here: https://www.webmo.net/link/help/