Molecular Geometry (VSEPR)

Pick a molecule and watch VSEPR predict its 3D shape. See how lone pairs and bonding regions set the geometry, bond angle, and hybridization.

VSEPR theory says the electron groups around a central atom — bonding pairs and lone pairs — repel each other and spread out as far apart as possible. Count the electron domains, and the shape follows. Pick a molecule to see how its lone pairs and bonds set the geometry.

HHO

Purple dots = the 2 lone pairs on O

H₂OWater
Geometry
bent
Bond angle
104.5°
Electron domains
4
Hybridization
sp³
Bonding regions
2
Lone pairs (central)
2

Domain math: 2 bonding regions + 2 lone pairs = 4 electron domains.

Two lone pairs push the O–H bonds into a bent shape, so the dipoles don't cancel — water is polar.

Bonds from the central O

  • O single bond to H
  • O single bond to H

Water, formula H2O. Central atom O with 2 bonding regions and 2 lone pairs, for 4 electron domains. VSEPR geometry: bent, bond angle 104.5°. Central-atom hybridization sp³.

See the dot structures behind these shapes on the Lewis structures lesson, then check whether each shape is polar or nonpolar.

What VSEPR theory says

The idea behind VSEPR — Valence Shell Electron Pair Repulsion — is simple: negative charges repel, so the groups of electrons around a central atom push each other as far apart as they can. Whatever 3D arrangement keeps those groups farthest apart is the shape the molecule takes. To use it you only need one thing: an accurate Lewis structure that tells you how many electron groups surround the central atom. Pick any molecule in the tool above to see its predicted shape, bond angle, and hybridization.

Electron domains vs. bonding regions

The number VSEPR actually cares about is the count of electron domains: every bond plus every lone pair on the central atom. A key rule — a double or triple bond still counts as one domain, because the extra electrons share the same direction in space. So the formula is:

electron domains = bonding regions + lone pairs on the central atom

For carbon dioxide (CO₂) the central carbon has two double bonds and no lone pairs, giving 2 domains and a linear, 180° shape. For water (H₂O) the oxygen has 2 bonds plus 2 lone pairs, giving 4 domains. The domains aim at a tetrahedron, but only the two hydrogen atoms are visible, so the molecular shape is bent, not tetrahedral.

How lone pairs change the shape

This is the heart of the topic. Three molecules all have four electron domains, yet their shapes differ because of lone pairs:

A lone pair is held by just one atom, so it billows outward and pushes harder than a bonding pair (which is pinned between two nuclei). Each lone pair you add squeezes the remaining bonds a little closer together, shaving the angle down step by step. The geometry name describes only the atoms you can see, even though the lone pairs are doing the steering.

From domains to the angle

Once you know the domain count, the ideal angles follow a fixed menu: 2 domains → 180°, 3 → 120°, 4 → 109.5°, 5 → 90° and 120° (trigonal bipyramidal), 6 → 90° (octahedral). Lone pairs then nudge the observed angle below the ideal. The central atom’s hybridization tracks the same count — sp for 2 domains, sp² for 3, sp³ for 4 — which is why valence electrons and the Lewis dot picture feed straight into the shape. Shape, in turn, decides whether bond dipoles cancel, which sets a molecule’s overall polarity.

Using this with a class

Have students draw the Lewis structure first, count the domains out loud, and predict the shape before clicking a molecule. Compare CH₄, NH₃, and H₂O side by side to watch the angle shrink as lone pairs appear. The widget is free to embed on your own site or LMS using the snippet below.

Frequently asked questions

What is VSEPR theory?
VSEPR (Valence Shell Electron Pair Repulsion) theory predicts a molecule's 3D shape by assuming the electron groups around the central atom repel one another and arrange themselves as far apart as possible.
What is an electron domain?
An electron domain is any region of electron density around the central atom: each bond (single, double, or triple counts as one) plus each lone pair. Counting domains is the first step in predicting the shape.
Why is water bent instead of linear?
Oxygen has four electron domains — two O–H bonds and two lone pairs. The four domains point toward the corners of a tetrahedron, but we only 'see' the two atoms, so the molecule looks bent with a ~104.5° angle.
Why do lone pairs make bond angles smaller?
Lone pairs are held by only one nucleus, so they spread out more and push harder on the bonding pairs. That extra repulsion squeezes the bond angle down — from 109.5° in CH₄ to 107° in NH₃ to 104.5° in H₂O.

Sources

Last reviewed: 2026-06-27

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