Basic VSEPR#

Investigate molecular geometries using VSEPR rules.


Build and optimize the geometry of simple molecules to illustrate VSEPR theory.

  • For organic-type molecules, use the MMFF94 forcefield.

Examples: methane, water, ammonia, etc.

  • For octahedral-based geometries, use the UFF forcefield which is optimized for all elements.

Examples: SF6, IF5, XeF4, etc.

  • Try even 7, 8, or 9 atoms around a central metal - how do the VSEPR rules extend beyond octahedral molecules?

See also#

Organic Hybridization

Further reading#

VSEPR theory (wikipedia)


Geometries derived from the trigonal bipyramidal geometry are not currently reliable.


When using the Draw tool, you may wish to uncheck the “Adjust Hydrogens” box.